1

1 Refractive Indices of Minerals and Synthetic Compounds 2

3 Ruth C Shannon 4

Geological Sciences CIRES University of Colorado Boulder Colorado 80309 5

Barbara Lafuente 6

NASA Ames Research Center Moffett Field Mountain View CA 94035 7

Robert D Shannon 8

Geological Sciences CIRES University of Colorado Boulder Colorado 80309 9

Robert T Downs 10

Department of Geosciences University of Arizona 1040 E 4th St Tucson Arizona 85721-0077 11

Reinhard X Fischer 12

Universitaumlt Bremen FB 5 Geowissenschaften Klagenfurter Str 2 D-28359 Bremen (Germany) 13

14

Abstract 15

This is a comprehensive compilation of refractive indices of 1933 minerals and 1019 synthetic 16

compounds including exact chemical compositions and references taken from 30 compilations 17

and many mineral and synthetic oxide descriptions It represents a subset of about 4000 entries 18

used by Shannon and Fischer (Amer Mineral 101 2016 2288-2300) to determine the 19

polarizabilities of 270 cations and anions after removing 425 minerals and compounds 20

containing the lone-pair ions (Tl+ Sn2+ Pb2+ As3+ Sb3+Bi3+ S4+ Se4+ Te4+ Cl5+ Br5+ I5+) and 21

uranyl ions U6+ The table lists the empirical composition of the mineral or synthetic compound 22

the ideal composition of the mineral the mineral name or synthetic compound the Dana classes 23

and subclasses extended to include beryllates aluminates gallates germanates niobates 24

tantalates molybdates tungstates etc descriptive notes eg structure polytypes and other 25

2

information that helps define a particular mineral sample and the locality of a mineral when 26

known Finally we list nx ny nz ltnDobsgt (all determined at 5893 nm) ltnDcalcgt deviation of 27

observed and calculated mean refractive indices molar volume Vm corresponding to the volume 28

of one formula unit anion molar volume Van calculated from Vm divided by the number of 29

anions (O2- F- Cl- OH-) and H2O in the formula unit the total polarizability ltαAEgt and finally 30

the reference to the refractive indices for all 2952 entries The total polarizability of a mineral 31

ltαAEgt is a useful property that reflects its composition crystal structure and chemistry and was 32

calculated using the Anderson-Eggleton relationship = where c = 226 is 33

the electron overlap factor The empirical polarizabilities and therefore the combination of 34

refractive indices compositions and molar volumes of the minerals and synthetic oxides in the 35

table were verified by a comparison of observed and calculated total polarizabilities ltαAEgt 36

derived from individual polarizabilities of cations and anions The deviation between observed 37

and calculated refractive indices is less than 2 in most instances 38

39

Keywords Refractive index electronic polarizabilities optical properties minerals synthetic 40

compounds refractive-index calculation Anderson-Eggleton relationship 41

42

Introduction 43

The most important optical properties of minerals and synthetic materials include along 44

with absorption their refractive indices (Nesse 2013) Although identification of minerals by 45

the refractive index measurement has been replaced by the use of electron microprobes (EMP) 46

scanning electron microscopy and energy-dispersive X-ray spectroscopy (SEM-EDX) X-ray 47

3

fluorescence spectroscopy (XRF) X-ray diffraction (XRD) Infrared spectroscopy (IR) and 48

Raman spectroscopy the refractive index still provides important mineral information and can be 49

used for rapid identification of most common minerals using tables and charts (Feklichev 1992) 50

As stated in Shannon and Fischer (2016) refractive indices are also used to predict optical 51

properties from chemical compositions which is of value in developing new materials 52

particularly borate optical crystals (Qin and Li 2011) The refractive index is also an important 53

parameter of lasers and is required for instance in the analysis of the radiative properties of Ln3+ 54

ions (Han et al 2012) 55

Refractive indices can be used to characterize chemical variations in a mineral much as X-56

ray powder patterns can help understand chemical trends in structural families illustrated in the 57

studies of andalusites adularia cordierites and zeolites (Bloss et al 1983 Gunter and Bloss 58

1982 Selkregg and Bloss 1980 Gunter and Ribbe 1993 Palmer and Gunter 2000) They can 59

also help determine H2O content of hydrated minerals and zeolites (Gunter and Ribbe 1993) 60

Considering the importance of optical properties especially in mineralogy it is of particular 61

interest to estimate and predict refractive indices from chemical compositions and crystal-62

structure parameters This is possible using the polarizabilities of the ions as listed by Shannon 63

and Fischer (2006) for infinite wavelengths and by Shannon and Fischer (2016) for λ=5893 nm 64

as described in detail below (see section on calculation of refractive indices) Furthermore in 65

conjunction with calculated refractive indices using empirical polarizabilities the refractive 66

indices reflect the composition crystal structure valence state and bond valences of the ions in 67

the crystal (Shannon and Fischer 2006 2016) 68

However to the best of our knowledge most of the RI compilations provide only ldquogenericrdquo 69

values without inclusion of the specific compositions unit cells or mineral locality for specific 70

4

values of RIrsquos Generic refractive index values are only approximations when solid solutions 71

involving ions of greatly differing polarizabilities are present For example in the solid solution 72

series pyrope (Mg3Al2Si3O12) - knorringite (Mg3Cr2Si3O12) RI = 183 plusmn 001 for pure knorringite 73

(Ringwood 1977) as shown in Figure 1 whereas RI = 1803 for knorringite from Basutoland 74

South Africa with the composition Mg190Ca066Fe041Mn017Cr104Al086Fe007Si3O12 (Nixon and 75

Hornung 1968) Similarly in the solid solution series tephroite (Mn2SiO4) - (γ- Ca2SiO4 ) RI = 76

1772 1804 and 1814 for pure tephroite Mn2SiO4 (Greer 1932) as shown in Figure 2 77

whereas RI = 1761 1787 and 1799 for tephroite from Pajsberg Vaumlrmland Sweden with the 78

composition Mn185Mg015SiO4 (Shannon et al 2002) In the rare cases of minerals observed with 79

ideal stoiochiometric compositions the generic RI is valid This paper remedies most of those 80

shortcomings by providing observed and calculated RI values along with total polarizabilities 81

unit cells compositions and mineral localities for a large number of minerals and synthetic 82

compounds 83

84

Data Base 85

There are many sources of refractive index data Most provide only the refractive indices 86

with no information on (1) the specific composition and unit-cell dimensions associated with the 87

RI (2) the mineral locality or (3) a journal reference to the data Table 1 summarizes the 88

information in some important compilations of optical properties 89

The following sources were used Handbook of Mineralogy (Anthony et al 2015) 90

Danarsquos New Mineralogy (Gaines et al 1997) The Microscopic Determination of the 91

Nonopaque Minerals (Larsen 1921) Die oxydischen Kristallphasen der anorganischen 92

Industrieprodukte (Trojer 1963) Mineralogy Database (Webmineral 2015) Landolt-Boumlrnstein 93

5

(Hellwege and Hellwege 1962 1969 1979 1981) Rock-forming Minerals (Deer Howie and 94

Zussman 1963a 1963b 1978 1982 1986 1996) The volumes by Deer Howie and Zussman 95

provide RI composition source and reference with unit cells given for cubic compounds such 96

as garnets but not other families such as olivines pyroxenes tourmalines or humites although 97

references given there can sometimes be found with unit cell information 98

Information on synthetic compounds is generally more complete than on minerals 99

because the stoichimetry is known See for example Standard X-ray Diffraction Patterns NBS 100

Circular 539 and Monograph 25 Sections 1 - 18 (Swanson et al 1962-1981) The Microscopic 101

Characters of Artificial Inorganic Solid Substances or Artificial Minerals (Winchell 1931 102

Winchell and Winchell 1964) and Handbook of Laser Science and Technology 103

(Weber19861995) In these references the RI composition and unit cells are given but not 104

usually the associated journal references 105

The data necessary for this compilation are the refractive indices crystal structure unit-106

cell dimensions and chemical composition Refractive indices were taken from the publications 107

listed in Table 1 which includes Palache et al (1944 1951 1962) Gaines et al (1997) Deer 108

Howie and Zussman (1963a 1963b 1978 1982 1986 1996) Anthony et al (2015) Hintze 109

(1897 1915 1933 1938 1960 1968) Hellwege and Hellwege (1962 1969 1979 1981) 110

Nelson (1996) McLune (1989) Medenbach and Shannon (1997) Shannon et al (2002) 111

Shannon and Fischer (2016) Swanson et al (1962-1981) Webmineral (2015) Winchell (1931) 112

Winchell and Winchell (1964) They were also taken from the powder diffraction files of the 113

International Centre for Diffraction Data (ICDD) and descriptions of minerals in mineralogical 114

journals In general the above publications were used to locate the refractive indices and the 115

original publications Original publications were preferred in order to provide refractive indices 116

6

crystal structure unit-cell dimensions and chemical composition on the same sample 117

Occasionally unit-cell dimensions and composition were taken from the Inorganic Crystal 118

Structure Database (Belsky et al 2002) 119

The complete data set consisted of approximately 4000 refractive index measurements on 120

3000 minerals and 1000 synthetic compounds ~275 F-containing compounds 85 Cl-containing 121

compounds and 700 hydroxyl-containing compounds The data set contains 400 silicates 120 122

carbonates 20 nitrates~ 375 sulfates and 15 perchlorates [Table S1 in the supplements1 shows 123

a total of 2952 data on minerals and synthetic compounds] Some data were not included for 124

various reasons These are summarized in Table 3 of Shannon and Fischer (2016) and include 125

with a few examples 126

1 Poor or no analysis ndash composition uncertain taikanite (Armbruster et al 1993) cerchiaraite-127

Mn (Basso et al 2000) 128

2 Analysis total lt 100 eg haineaultite (McDonald and Chao 2004) 129

3 Rare earth ions not specified eg thalenite (Fitzpatrick and Pabst 1986) 130

4 Iron valence uncertain - Fe2+Fe3+ eg morimotoite (Henmi et al 1995) 131

5 H2O content uncertain eg hydroandradite (Peters 1965) 132

6 Zonation eg morimotoite (Henmi et al 1995) londonite (Simmons et al 2001) Zn 133

sonolite (Cook 1969) 134

7 Only two indices measured (common) eg liebenbergite (DeWaal and Calk 1973) 135

mercallite (Carobbi 1935) and 136

8 Crystal reacts with immersion fluid eg millosevichite (Miura et al 1994) 137

1 Deposit item AM-xx-xxxxx Supplemental Table Deposit items are free to all readers and found on the MSA web site via the specific issuersquos Table of Contents (go to httpwwwminsocamorgmsaammintoc2017)

7

Compounds containing lone-pair ions ( Tl+ Sn2+ Pb2+ As3+ Sb3+Bi3+ S4+ Se4+ Te4+ Cl5+ 138

Br5+ I5+) and uranyl ions U6+ (~425 compounds) showing systematic deviations between 139

observed and calculated RIrsquos were not included in the database (Shannon and Fischer 2016) as 140

well as compounds with duplicate RI measurements (~650 compounds) 141

Special cases include (1) 35 compounds with corner-shared octahedral (CSO) network and chain 142

structures (2) 40 compounds containing edge-sharing Fe3+ and Mn3+ octahedra (ESO) such as 143

LiFeO2 and goethite (FeOOH) (3) 40 alkali ion conductors and (4) 120 sterically-strained (SS) 144

structures with strong bond valence deviations (Shannon and Fischer 2016) Although these 145

~235 compounds show large deviations of observed to calculated polarizabilities they 146

nevertheless have excellent optical data included in Table S1 147

148 Calculation of refractive indices 149

Refractive indices are calculated using the polarizabilities of cations and anions compiled in 150

Shannon and Fischer (2016) The cation polarizabilities are simply additive The anion 151

polarizabilities are calculated using the relationship 152

= ∙ 10 (1) 153

with minusα = anion polarizability ominusα = free-ion polarizability and Van = anion molar volume 154

(calculated from the molar volume Vm divided by the number of O2- F- Cl- OH- and H2O in the 155

formula unit) as described by Shannon and Fischer (2006) However the exponent n of the anion 156

volume was empirically determined to yield the best results for n = 12 (see Shannon and 157

Fischer 2016) The and parameters are listed in Table 5 in Shannon and Fischer (2016) 158

Summing cation and anion polarizabilities yields the total polarizability of a compound As an 159

example the total polarizability of orthoclase KAlSi3O8 is calculated according to α(K) + α(Al) 160

8

+ 3timesα(Si) + 8timesα(O) = 135 + 0533 + 3 ∙ 0284 + 8 ∙ 179 ∙ 10 = 15724 Aring3 In a 161

classical approach also used by Shannon and Fischer (2006) the mean refractive index can be 162

calculated from the total polarizability using the Lorenz-Lorentz relationship solved for n 163

211

2

2

+minus

sdot=nn

Vb mLLα (2) 164

with the Lorentz factor b = 4π3 Vm = molar volume in Aring3 and n = the mean refractive index 165

In Shannon and Fischer (2016) and thus also here we are using a relationship modified by 166

Anderson (1975) and Eggleton (1991) 167

= (3) 168

with the electronic overlap factor empirically determined to be c = 226 This equation solved for 169

the refractive index n yields 170

= + 1 (4) 171

Using Vm = 18010 Aring3 and the total polarizability calculated above for albite yields the mean 172

refractive index ltngt = 1523 in excellent agreement with the experimentally determined value of 173

1524 (see albite entries in Table S1) 174

175 Results 176

This study lists the database of minerals and synthetic compounds used to calculate the empirical 177

polarizabilities by Shannon and Fischer (2016) Minerals are frequently classified using the 178

Strunz or Dana systems (Mills et al 2009) We have chosen to sort the minerals and synthetics 179

using the Dana classification in Danas New Mineralogy (Gaines et al (1997) and Danarsquos 180

classessubclasses with Borates as an example BoratesClass 24 Anhydrous Borates Class 25 181

9

Anhydrous Borates containing Hydroxyl or Halogen Class 26 Hydrated Borates containing 182

Hydroxl or Halogen and Class 27 Compound Borates 183

Table 2 summarizes information on selected oxide and hydroxide minerals or compounds 184

where with the exceptions of compounds showing steric strain and having edge- face-shared 185

and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 07 186

In column 1 we list the empirical composition of the mineral or synthetic compound In column 187

2 we list the mineral or compound name Column 3 lists the locality of a mineral when known or 188

whether the compound was prepared synthetically Columns 4-13 list nx ny nz ltnDgtobs 189

ltnDgtcalc Δ Vm Van ltαAEgt and reference In column 12 we list the total polarizability of a 190

mineral αAE a useful property that reflects its composition crystal structure and chemistry 191

(Shannon and Fischer 2016) 192

In some cases the cation sums in their respective crystallographic sites did not correspond to the 193

ideal or refined values of the sums of cations found from the structure analysis In many of those 194

minerals (approximately 35 out of the total of ~ 2000 minerals) the cation composition was 195

normalized to agree with the structure analysis identified as ldquonormalizedrdquo in column 5 (ldquoNotesrdquo 196

section) of Table 2 197

Table 3 summarizes the compositions found by chemical analysis and the normalized 198

composition for 6 silicates 5 phosphates 1 arsenate and 2 sulfate minerals Normalized cation 199

compositions generally did not differ by more than 5 from the chemical analytical value 200

Normalization generally improved the fit between α(obs) and α(calc) 201

Table S1 (Supplementary data1) contains the most important information in this work and 202

represents about 20 years of data compilation It summarizes the total data set of minerals and 203

synthetic compounds In column A we list the empirical composition of the mineral or synthetic 204

10

compound In general we preferred to use the empirical composition listed in the formal mineral 205

description eg Na206K095(Y077Dy009Gd 004Er004 Ho002Sm002Nd001Tb001) Si6O15 (moskvinite-206

Y Sokolova et al 2003) Occasionally when the empirical composition was not available we 207

used the composition found in structure analyses although these compositions are sometimes 208

idealized eg Na2KY(Si6O15) (see moskvinite-Y ICSD 97289) 209

In general integral numbers of H2O molecules were used in the compilation and 210

calculations of polarizabilities In some instances non-integral numbers were used In column B 211

we list the ideal mineral composition In column C we list the mineral or compound name In 212

columns D and E we list the Dana categories Column F contains descriptive notes eg structure 213

polytypes sample numbers from Deer Howie and Zussman and other information that helps 214

define a particular mineral sample Column G lists the locality of a mineral when known or 215

whether the compound was prepared synthetically Columns H-S list nx ny nz 216

ltnDgtobsltnDgtcalc Δn deviation () remarks Vm Van and ltαAEgt where Vm = molar volume in 217

Aring3 corresponding to the volume of one formula unit Van = anion molar volume and ltαAEgt is 218

the mean total polarizability calculated from the individual polarizabilities of the ions as 219

described above Columns T-X contain the refractive index reference 220

Figure 3 shows statistical data on the distribution of deviations between observed and 221

calculated refractive indices It clearly demonstrates that the majority of deviations is in the 222

range below 1 for 2377 entries Another 370 entries have deviations below 2 223

224

Implications 225

The comprehensive table presented here provides a set of accurate refractive index 226

composition unit cell volume and locality data for 1800 minerals and 1030 synthetic 227

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

Alfors JT Stinson MC and Matthews RA (1965) Seven new barium minerals from Eastern 247

Fresno County California American Mineralogist 50 314-340 248

Anderson OL (1975) Optical Properties of rock-forming minerals derived from atomic 249

properties Fortschritte der Mineralogie 52 611-629 250

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

Mineralogy Mineralogical Society of America Chantilly VA 20151-1110 USA 254

httpwwwhandbookofmineralogyorg 255

Armbruster T Oberhaumlnsli R and Kunz M (1993) Taikanite BaSr2Mn3+2O2[Si4O12] from the 256

Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

American Mineralogist 78 1088-1095 258

Bailly R (1948) Utilisation des radiations infra-rouge dans les recherche mineralogiques et en 259

particulier pour la determination des mineraux opaques Bulletin societe Francaise de 260

Mineralogie 70 49-145 261

Basso R Lucchetti G Zefiro L and Palenzona A (2000) Cerchiaraite a new natural Ba-262

Mn-mixed anion silicate chloride from the Cerchiara mine Northern Apennines Italy 263

Neues Jahrbuch fuumlr Mineralogie Monatshefte 2000 373-384 264

Belsky A Hellenbrandt M Karen V L and Luksch P (2002) New developments in the 265

Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

Bond WL (1965) Measurement of the refractive indices of several crystals Journal of Applied 270

Physics 36 1674-1677 271

Burianek M Birkenstock J Mair P Kahlenberg V Medenbach O Shannon RD and 272

Fischer RX (2016) High‑pressure synthesis long‑term stability of single crystals of 273

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

England 932 pp 298

Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

2

information that helps define a particular mineral sample and the locality of a mineral when 26

known Finally we list nx ny nz ltnDobsgt (all determined at 5893 nm) ltnDcalcgt deviation of 27

observed and calculated mean refractive indices molar volume Vm corresponding to the volume 28

of one formula unit anion molar volume Van calculated from Vm divided by the number of 29

anions (O2- F- Cl- OH-) and H2O in the formula unit the total polarizability ltαAEgt and finally 30

the reference to the refractive indices for all 2952 entries The total polarizability of a mineral 31

ltαAEgt is a useful property that reflects its composition crystal structure and chemistry and was 32

calculated using the Anderson-Eggleton relationship = where c = 226 is 33

the electron overlap factor The empirical polarizabilities and therefore the combination of 34

refractive indices compositions and molar volumes of the minerals and synthetic oxides in the 35

table were verified by a comparison of observed and calculated total polarizabilities ltαAEgt 36

derived from individual polarizabilities of cations and anions The deviation between observed 37

and calculated refractive indices is less than 2 in most instances 38

39

Keywords Refractive index electronic polarizabilities optical properties minerals synthetic 40

compounds refractive-index calculation Anderson-Eggleton relationship 41

42

Introduction 43

The most important optical properties of minerals and synthetic materials include along 44

with absorption their refractive indices (Nesse 2013) Although identification of minerals by 45

the refractive index measurement has been replaced by the use of electron microprobes (EMP) 46

scanning electron microscopy and energy-dispersive X-ray spectroscopy (SEM-EDX) X-ray 47

3

fluorescence spectroscopy (XRF) X-ray diffraction (XRD) Infrared spectroscopy (IR) and 48

Raman spectroscopy the refractive index still provides important mineral information and can be 49

used for rapid identification of most common minerals using tables and charts (Feklichev 1992) 50

As stated in Shannon and Fischer (2016) refractive indices are also used to predict optical 51

properties from chemical compositions which is of value in developing new materials 52

particularly borate optical crystals (Qin and Li 2011) The refractive index is also an important 53

parameter of lasers and is required for instance in the analysis of the radiative properties of Ln3+ 54

ions (Han et al 2012) 55

Refractive indices can be used to characterize chemical variations in a mineral much as X-56

ray powder patterns can help understand chemical trends in structural families illustrated in the 57

studies of andalusites adularia cordierites and zeolites (Bloss et al 1983 Gunter and Bloss 58

1982 Selkregg and Bloss 1980 Gunter and Ribbe 1993 Palmer and Gunter 2000) They can 59

also help determine H2O content of hydrated minerals and zeolites (Gunter and Ribbe 1993) 60

Considering the importance of optical properties especially in mineralogy it is of particular 61

interest to estimate and predict refractive indices from chemical compositions and crystal-62

structure parameters This is possible using the polarizabilities of the ions as listed by Shannon 63

and Fischer (2006) for infinite wavelengths and by Shannon and Fischer (2016) for λ=5893 nm 64

as described in detail below (see section on calculation of refractive indices) Furthermore in 65

conjunction with calculated refractive indices using empirical polarizabilities the refractive 66

indices reflect the composition crystal structure valence state and bond valences of the ions in 67

the crystal (Shannon and Fischer 2006 2016) 68

However to the best of our knowledge most of the RI compilations provide only ldquogenericrdquo 69

values without inclusion of the specific compositions unit cells or mineral locality for specific 70

4

values of RIrsquos Generic refractive index values are only approximations when solid solutions 71

involving ions of greatly differing polarizabilities are present For example in the solid solution 72

series pyrope (Mg3Al2Si3O12) - knorringite (Mg3Cr2Si3O12) RI = 183 plusmn 001 for pure knorringite 73

(Ringwood 1977) as shown in Figure 1 whereas RI = 1803 for knorringite from Basutoland 74

South Africa with the composition Mg190Ca066Fe041Mn017Cr104Al086Fe007Si3O12 (Nixon and 75

Hornung 1968) Similarly in the solid solution series tephroite (Mn2SiO4) - (γ- Ca2SiO4 ) RI = 76

1772 1804 and 1814 for pure tephroite Mn2SiO4 (Greer 1932) as shown in Figure 2 77

whereas RI = 1761 1787 and 1799 for tephroite from Pajsberg Vaumlrmland Sweden with the 78

composition Mn185Mg015SiO4 (Shannon et al 2002) In the rare cases of minerals observed with 79

ideal stoiochiometric compositions the generic RI is valid This paper remedies most of those 80

shortcomings by providing observed and calculated RI values along with total polarizabilities 81

unit cells compositions and mineral localities for a large number of minerals and synthetic 82

compounds 83

84

Data Base 85

There are many sources of refractive index data Most provide only the refractive indices 86

with no information on (1) the specific composition and unit-cell dimensions associated with the 87

RI (2) the mineral locality or (3) a journal reference to the data Table 1 summarizes the 88

information in some important compilations of optical properties 89

The following sources were used Handbook of Mineralogy (Anthony et al 2015) 90

Danarsquos New Mineralogy (Gaines et al 1997) The Microscopic Determination of the 91

Nonopaque Minerals (Larsen 1921) Die oxydischen Kristallphasen der anorganischen 92

Industrieprodukte (Trojer 1963) Mineralogy Database (Webmineral 2015) Landolt-Boumlrnstein 93

5

(Hellwege and Hellwege 1962 1969 1979 1981) Rock-forming Minerals (Deer Howie and 94

Zussman 1963a 1963b 1978 1982 1986 1996) The volumes by Deer Howie and Zussman 95

provide RI composition source and reference with unit cells given for cubic compounds such 96

as garnets but not other families such as olivines pyroxenes tourmalines or humites although 97

references given there can sometimes be found with unit cell information 98

Information on synthetic compounds is generally more complete than on minerals 99

because the stoichimetry is known See for example Standard X-ray Diffraction Patterns NBS 100

Circular 539 and Monograph 25 Sections 1 - 18 (Swanson et al 1962-1981) The Microscopic 101

Characters of Artificial Inorganic Solid Substances or Artificial Minerals (Winchell 1931 102

Winchell and Winchell 1964) and Handbook of Laser Science and Technology 103

(Weber19861995) In these references the RI composition and unit cells are given but not 104

usually the associated journal references 105

The data necessary for this compilation are the refractive indices crystal structure unit-106

cell dimensions and chemical composition Refractive indices were taken from the publications 107

listed in Table 1 which includes Palache et al (1944 1951 1962) Gaines et al (1997) Deer 108

Howie and Zussman (1963a 1963b 1978 1982 1986 1996) Anthony et al (2015) Hintze 109

(1897 1915 1933 1938 1960 1968) Hellwege and Hellwege (1962 1969 1979 1981) 110

Nelson (1996) McLune (1989) Medenbach and Shannon (1997) Shannon et al (2002) 111

Shannon and Fischer (2016) Swanson et al (1962-1981) Webmineral (2015) Winchell (1931) 112

Winchell and Winchell (1964) They were also taken from the powder diffraction files of the 113

International Centre for Diffraction Data (ICDD) and descriptions of minerals in mineralogical 114

journals In general the above publications were used to locate the refractive indices and the 115

original publications Original publications were preferred in order to provide refractive indices 116

6

crystal structure unit-cell dimensions and chemical composition on the same sample 117

Occasionally unit-cell dimensions and composition were taken from the Inorganic Crystal 118

Structure Database (Belsky et al 2002) 119

The complete data set consisted of approximately 4000 refractive index measurements on 120

3000 minerals and 1000 synthetic compounds ~275 F-containing compounds 85 Cl-containing 121

compounds and 700 hydroxyl-containing compounds The data set contains 400 silicates 120 122

carbonates 20 nitrates~ 375 sulfates and 15 perchlorates [Table S1 in the supplements1 shows 123

a total of 2952 data on minerals and synthetic compounds] Some data were not included for 124

various reasons These are summarized in Table 3 of Shannon and Fischer (2016) and include 125

with a few examples 126

1 Poor or no analysis ndash composition uncertain taikanite (Armbruster et al 1993) cerchiaraite-127

Mn (Basso et al 2000) 128

2 Analysis total lt 100 eg haineaultite (McDonald and Chao 2004) 129

3 Rare earth ions not specified eg thalenite (Fitzpatrick and Pabst 1986) 130

4 Iron valence uncertain - Fe2+Fe3+ eg morimotoite (Henmi et al 1995) 131

5 H2O content uncertain eg hydroandradite (Peters 1965) 132

6 Zonation eg morimotoite (Henmi et al 1995) londonite (Simmons et al 2001) Zn 133

sonolite (Cook 1969) 134

7 Only two indices measured (common) eg liebenbergite (DeWaal and Calk 1973) 135

mercallite (Carobbi 1935) and 136

8 Crystal reacts with immersion fluid eg millosevichite (Miura et al 1994) 137

1 Deposit item AM-xx-xxxxx Supplemental Table Deposit items are free to all readers and found on the MSA web site via the specific issuersquos Table of Contents (go to httpwwwminsocamorgmsaammintoc2017)

7

Compounds containing lone-pair ions ( Tl+ Sn2+ Pb2+ As3+ Sb3+Bi3+ S4+ Se4+ Te4+ Cl5+ 138

Br5+ I5+) and uranyl ions U6+ (~425 compounds) showing systematic deviations between 139

observed and calculated RIrsquos were not included in the database (Shannon and Fischer 2016) as 140

well as compounds with duplicate RI measurements (~650 compounds) 141

Special cases include (1) 35 compounds with corner-shared octahedral (CSO) network and chain 142

structures (2) 40 compounds containing edge-sharing Fe3+ and Mn3+ octahedra (ESO) such as 143

LiFeO2 and goethite (FeOOH) (3) 40 alkali ion conductors and (4) 120 sterically-strained (SS) 144

structures with strong bond valence deviations (Shannon and Fischer 2016) Although these 145

~235 compounds show large deviations of observed to calculated polarizabilities they 146

nevertheless have excellent optical data included in Table S1 147

148 Calculation of refractive indices 149

Refractive indices are calculated using the polarizabilities of cations and anions compiled in 150

Shannon and Fischer (2016) The cation polarizabilities are simply additive The anion 151

polarizabilities are calculated using the relationship 152

= ∙ 10 (1) 153

with minusα = anion polarizability ominusα = free-ion polarizability and Van = anion molar volume 154

(calculated from the molar volume Vm divided by the number of O2- F- Cl- OH- and H2O in the 155

formula unit) as described by Shannon and Fischer (2006) However the exponent n of the anion 156

volume was empirically determined to yield the best results for n = 12 (see Shannon and 157

Fischer 2016) The and parameters are listed in Table 5 in Shannon and Fischer (2016) 158

Summing cation and anion polarizabilities yields the total polarizability of a compound As an 159

example the total polarizability of orthoclase KAlSi3O8 is calculated according to α(K) + α(Al) 160

8

+ 3timesα(Si) + 8timesα(O) = 135 + 0533 + 3 ∙ 0284 + 8 ∙ 179 ∙ 10 = 15724 Aring3 In a 161

classical approach also used by Shannon and Fischer (2006) the mean refractive index can be 162

calculated from the total polarizability using the Lorenz-Lorentz relationship solved for n 163

211

2

2

+minus

sdot=nn

Vb mLLα (2) 164

with the Lorentz factor b = 4π3 Vm = molar volume in Aring3 and n = the mean refractive index 165

In Shannon and Fischer (2016) and thus also here we are using a relationship modified by 166

Anderson (1975) and Eggleton (1991) 167

= (3) 168

with the electronic overlap factor empirically determined to be c = 226 This equation solved for 169

the refractive index n yields 170

= + 1 (4) 171

Using Vm = 18010 Aring3 and the total polarizability calculated above for albite yields the mean 172

refractive index ltngt = 1523 in excellent agreement with the experimentally determined value of 173

1524 (see albite entries in Table S1) 174

175 Results 176

This study lists the database of minerals and synthetic compounds used to calculate the empirical 177

polarizabilities by Shannon and Fischer (2016) Minerals are frequently classified using the 178

Strunz or Dana systems (Mills et al 2009) We have chosen to sort the minerals and synthetics 179

using the Dana classification in Danas New Mineralogy (Gaines et al (1997) and Danarsquos 180

classessubclasses with Borates as an example BoratesClass 24 Anhydrous Borates Class 25 181

9

Anhydrous Borates containing Hydroxyl or Halogen Class 26 Hydrated Borates containing 182

Hydroxl or Halogen and Class 27 Compound Borates 183

Table 2 summarizes information on selected oxide and hydroxide minerals or compounds 184

where with the exceptions of compounds showing steric strain and having edge- face-shared 185

and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 07 186

In column 1 we list the empirical composition of the mineral or synthetic compound In column 187

2 we list the mineral or compound name Column 3 lists the locality of a mineral when known or 188

whether the compound was prepared synthetically Columns 4-13 list nx ny nz ltnDgtobs 189

ltnDgtcalc Δ Vm Van ltαAEgt and reference In column 12 we list the total polarizability of a 190

mineral αAE a useful property that reflects its composition crystal structure and chemistry 191

(Shannon and Fischer 2016) 192

In some cases the cation sums in their respective crystallographic sites did not correspond to the 193

ideal or refined values of the sums of cations found from the structure analysis In many of those 194

minerals (approximately 35 out of the total of ~ 2000 minerals) the cation composition was 195

normalized to agree with the structure analysis identified as ldquonormalizedrdquo in column 5 (ldquoNotesrdquo 196

section) of Table 2 197

Table 3 summarizes the compositions found by chemical analysis and the normalized 198

composition for 6 silicates 5 phosphates 1 arsenate and 2 sulfate minerals Normalized cation 199

compositions generally did not differ by more than 5 from the chemical analytical value 200

Normalization generally improved the fit between α(obs) and α(calc) 201

Table S1 (Supplementary data1) contains the most important information in this work and 202

represents about 20 years of data compilation It summarizes the total data set of minerals and 203

synthetic compounds In column A we list the empirical composition of the mineral or synthetic 204

10

compound In general we preferred to use the empirical composition listed in the formal mineral 205

description eg Na206K095(Y077Dy009Gd 004Er004 Ho002Sm002Nd001Tb001) Si6O15 (moskvinite-206

Y Sokolova et al 2003) Occasionally when the empirical composition was not available we 207

used the composition found in structure analyses although these compositions are sometimes 208

idealized eg Na2KY(Si6O15) (see moskvinite-Y ICSD 97289) 209

In general integral numbers of H2O molecules were used in the compilation and 210

calculations of polarizabilities In some instances non-integral numbers were used In column B 211

we list the ideal mineral composition In column C we list the mineral or compound name In 212

columns D and E we list the Dana categories Column F contains descriptive notes eg structure 213

polytypes sample numbers from Deer Howie and Zussman and other information that helps 214

define a particular mineral sample Column G lists the locality of a mineral when known or 215

whether the compound was prepared synthetically Columns H-S list nx ny nz 216

ltnDgtobsltnDgtcalc Δn deviation () remarks Vm Van and ltαAEgt where Vm = molar volume in 217

Aring3 corresponding to the volume of one formula unit Van = anion molar volume and ltαAEgt is 218

the mean total polarizability calculated from the individual polarizabilities of the ions as 219

described above Columns T-X contain the refractive index reference 220

Figure 3 shows statistical data on the distribution of deviations between observed and 221

calculated refractive indices It clearly demonstrates that the majority of deviations is in the 222

range below 1 for 2377 entries Another 370 entries have deviations below 2 223

224

Implications 225

The comprehensive table presented here provides a set of accurate refractive index 226

composition unit cell volume and locality data for 1800 minerals and 1030 synthetic 227

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

Alfors JT Stinson MC and Matthews RA (1965) Seven new barium minerals from Eastern 247

Fresno County California American Mineralogist 50 314-340 248

Anderson OL (1975) Optical Properties of rock-forming minerals derived from atomic 249

properties Fortschritte der Mineralogie 52 611-629 250

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

Mineralogy Mineralogical Society of America Chantilly VA 20151-1110 USA 254

httpwwwhandbookofmineralogyorg 255

Armbruster T Oberhaumlnsli R and Kunz M (1993) Taikanite BaSr2Mn3+2O2[Si4O12] from the 256

Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

American Mineralogist 78 1088-1095 258

Bailly R (1948) Utilisation des radiations infra-rouge dans les recherche mineralogiques et en 259

particulier pour la determination des mineraux opaques Bulletin societe Francaise de 260

Mineralogie 70 49-145 261

Basso R Lucchetti G Zefiro L and Palenzona A (2000) Cerchiaraite a new natural Ba-262

Mn-mixed anion silicate chloride from the Cerchiara mine Northern Apennines Italy 263

Neues Jahrbuch fuumlr Mineralogie Monatshefte 2000 373-384 264

Belsky A Hellenbrandt M Karen V L and Luksch P (2002) New developments in the 265

Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

Bond WL (1965) Measurement of the refractive indices of several crystals Journal of Applied 270

Physics 36 1674-1677 271

Burianek M Birkenstock J Mair P Kahlenberg V Medenbach O Shannon RD and 272

Fischer RX (2016) High‑pressure synthesis long‑term stability of single crystals of 273

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

England 932 pp 298

Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

3

fluorescence spectroscopy (XRF) X-ray diffraction (XRD) Infrared spectroscopy (IR) and 48

Raman spectroscopy the refractive index still provides important mineral information and can be 49

used for rapid identification of most common minerals using tables and charts (Feklichev 1992) 50

As stated in Shannon and Fischer (2016) refractive indices are also used to predict optical 51

properties from chemical compositions which is of value in developing new materials 52

particularly borate optical crystals (Qin and Li 2011) The refractive index is also an important 53

parameter of lasers and is required for instance in the analysis of the radiative properties of Ln3+ 54

ions (Han et al 2012) 55

Refractive indices can be used to characterize chemical variations in a mineral much as X-56

ray powder patterns can help understand chemical trends in structural families illustrated in the 57

studies of andalusites adularia cordierites and zeolites (Bloss et al 1983 Gunter and Bloss 58

1982 Selkregg and Bloss 1980 Gunter and Ribbe 1993 Palmer and Gunter 2000) They can 59

also help determine H2O content of hydrated minerals and zeolites (Gunter and Ribbe 1993) 60

Considering the importance of optical properties especially in mineralogy it is of particular 61

interest to estimate and predict refractive indices from chemical compositions and crystal-62

structure parameters This is possible using the polarizabilities of the ions as listed by Shannon 63

and Fischer (2006) for infinite wavelengths and by Shannon and Fischer (2016) for λ=5893 nm 64

as described in detail below (see section on calculation of refractive indices) Furthermore in 65

conjunction with calculated refractive indices using empirical polarizabilities the refractive 66

indices reflect the composition crystal structure valence state and bond valences of the ions in 67

the crystal (Shannon and Fischer 2006 2016) 68

However to the best of our knowledge most of the RI compilations provide only ldquogenericrdquo 69

values without inclusion of the specific compositions unit cells or mineral locality for specific 70

4

values of RIrsquos Generic refractive index values are only approximations when solid solutions 71

involving ions of greatly differing polarizabilities are present For example in the solid solution 72

series pyrope (Mg3Al2Si3O12) - knorringite (Mg3Cr2Si3O12) RI = 183 plusmn 001 for pure knorringite 73

(Ringwood 1977) as shown in Figure 1 whereas RI = 1803 for knorringite from Basutoland 74

South Africa with the composition Mg190Ca066Fe041Mn017Cr104Al086Fe007Si3O12 (Nixon and 75

Hornung 1968) Similarly in the solid solution series tephroite (Mn2SiO4) - (γ- Ca2SiO4 ) RI = 76

1772 1804 and 1814 for pure tephroite Mn2SiO4 (Greer 1932) as shown in Figure 2 77

whereas RI = 1761 1787 and 1799 for tephroite from Pajsberg Vaumlrmland Sweden with the 78

composition Mn185Mg015SiO4 (Shannon et al 2002) In the rare cases of minerals observed with 79

ideal stoiochiometric compositions the generic RI is valid This paper remedies most of those 80

shortcomings by providing observed and calculated RI values along with total polarizabilities 81

unit cells compositions and mineral localities for a large number of minerals and synthetic 82

compounds 83

84

Data Base 85

There are many sources of refractive index data Most provide only the refractive indices 86

with no information on (1) the specific composition and unit-cell dimensions associated with the 87

RI (2) the mineral locality or (3) a journal reference to the data Table 1 summarizes the 88

information in some important compilations of optical properties 89

The following sources were used Handbook of Mineralogy (Anthony et al 2015) 90

Danarsquos New Mineralogy (Gaines et al 1997) The Microscopic Determination of the 91

Nonopaque Minerals (Larsen 1921) Die oxydischen Kristallphasen der anorganischen 92

Industrieprodukte (Trojer 1963) Mineralogy Database (Webmineral 2015) Landolt-Boumlrnstein 93

5

(Hellwege and Hellwege 1962 1969 1979 1981) Rock-forming Minerals (Deer Howie and 94

Zussman 1963a 1963b 1978 1982 1986 1996) The volumes by Deer Howie and Zussman 95

provide RI composition source and reference with unit cells given for cubic compounds such 96

as garnets but not other families such as olivines pyroxenes tourmalines or humites although 97

references given there can sometimes be found with unit cell information 98

Information on synthetic compounds is generally more complete than on minerals 99

because the stoichimetry is known See for example Standard X-ray Diffraction Patterns NBS 100

Circular 539 and Monograph 25 Sections 1 - 18 (Swanson et al 1962-1981) The Microscopic 101

Characters of Artificial Inorganic Solid Substances or Artificial Minerals (Winchell 1931 102

Winchell and Winchell 1964) and Handbook of Laser Science and Technology 103

(Weber19861995) In these references the RI composition and unit cells are given but not 104

usually the associated journal references 105

The data necessary for this compilation are the refractive indices crystal structure unit-106

cell dimensions and chemical composition Refractive indices were taken from the publications 107

listed in Table 1 which includes Palache et al (1944 1951 1962) Gaines et al (1997) Deer 108

Howie and Zussman (1963a 1963b 1978 1982 1986 1996) Anthony et al (2015) Hintze 109

(1897 1915 1933 1938 1960 1968) Hellwege and Hellwege (1962 1969 1979 1981) 110

Nelson (1996) McLune (1989) Medenbach and Shannon (1997) Shannon et al (2002) 111

Shannon and Fischer (2016) Swanson et al (1962-1981) Webmineral (2015) Winchell (1931) 112

Winchell and Winchell (1964) They were also taken from the powder diffraction files of the 113

International Centre for Diffraction Data (ICDD) and descriptions of minerals in mineralogical 114

journals In general the above publications were used to locate the refractive indices and the 115

original publications Original publications were preferred in order to provide refractive indices 116

6

crystal structure unit-cell dimensions and chemical composition on the same sample 117

Occasionally unit-cell dimensions and composition were taken from the Inorganic Crystal 118

Structure Database (Belsky et al 2002) 119

The complete data set consisted of approximately 4000 refractive index measurements on 120

3000 minerals and 1000 synthetic compounds ~275 F-containing compounds 85 Cl-containing 121

compounds and 700 hydroxyl-containing compounds The data set contains 400 silicates 120 122

carbonates 20 nitrates~ 375 sulfates and 15 perchlorates [Table S1 in the supplements1 shows 123

a total of 2952 data on minerals and synthetic compounds] Some data were not included for 124

various reasons These are summarized in Table 3 of Shannon and Fischer (2016) and include 125

with a few examples 126

1 Poor or no analysis ndash composition uncertain taikanite (Armbruster et al 1993) cerchiaraite-127

Mn (Basso et al 2000) 128

2 Analysis total lt 100 eg haineaultite (McDonald and Chao 2004) 129

3 Rare earth ions not specified eg thalenite (Fitzpatrick and Pabst 1986) 130

4 Iron valence uncertain - Fe2+Fe3+ eg morimotoite (Henmi et al 1995) 131

5 H2O content uncertain eg hydroandradite (Peters 1965) 132

6 Zonation eg morimotoite (Henmi et al 1995) londonite (Simmons et al 2001) Zn 133

sonolite (Cook 1969) 134

7 Only two indices measured (common) eg liebenbergite (DeWaal and Calk 1973) 135

mercallite (Carobbi 1935) and 136

8 Crystal reacts with immersion fluid eg millosevichite (Miura et al 1994) 137

1 Deposit item AM-xx-xxxxx Supplemental Table Deposit items are free to all readers and found on the MSA web site via the specific issuersquos Table of Contents (go to httpwwwminsocamorgmsaammintoc2017)

7

Compounds containing lone-pair ions ( Tl+ Sn2+ Pb2+ As3+ Sb3+Bi3+ S4+ Se4+ Te4+ Cl5+ 138

Br5+ I5+) and uranyl ions U6+ (~425 compounds) showing systematic deviations between 139

observed and calculated RIrsquos were not included in the database (Shannon and Fischer 2016) as 140

well as compounds with duplicate RI measurements (~650 compounds) 141

Special cases include (1) 35 compounds with corner-shared octahedral (CSO) network and chain 142

structures (2) 40 compounds containing edge-sharing Fe3+ and Mn3+ octahedra (ESO) such as 143

LiFeO2 and goethite (FeOOH) (3) 40 alkali ion conductors and (4) 120 sterically-strained (SS) 144

structures with strong bond valence deviations (Shannon and Fischer 2016) Although these 145

~235 compounds show large deviations of observed to calculated polarizabilities they 146

nevertheless have excellent optical data included in Table S1 147

148 Calculation of refractive indices 149

Refractive indices are calculated using the polarizabilities of cations and anions compiled in 150

Shannon and Fischer (2016) The cation polarizabilities are simply additive The anion 151

polarizabilities are calculated using the relationship 152

= ∙ 10 (1) 153

with minusα = anion polarizability ominusα = free-ion polarizability and Van = anion molar volume 154

(calculated from the molar volume Vm divided by the number of O2- F- Cl- OH- and H2O in the 155

formula unit) as described by Shannon and Fischer (2006) However the exponent n of the anion 156

volume was empirically determined to yield the best results for n = 12 (see Shannon and 157

Fischer 2016) The and parameters are listed in Table 5 in Shannon and Fischer (2016) 158

Summing cation and anion polarizabilities yields the total polarizability of a compound As an 159

example the total polarizability of orthoclase KAlSi3O8 is calculated according to α(K) + α(Al) 160

8

+ 3timesα(Si) + 8timesα(O) = 135 + 0533 + 3 ∙ 0284 + 8 ∙ 179 ∙ 10 = 15724 Aring3 In a 161

classical approach also used by Shannon and Fischer (2006) the mean refractive index can be 162

calculated from the total polarizability using the Lorenz-Lorentz relationship solved for n 163

211

2

2

+minus

sdot=nn

Vb mLLα (2) 164

with the Lorentz factor b = 4π3 Vm = molar volume in Aring3 and n = the mean refractive index 165

In Shannon and Fischer (2016) and thus also here we are using a relationship modified by 166

Anderson (1975) and Eggleton (1991) 167

= (3) 168

with the electronic overlap factor empirically determined to be c = 226 This equation solved for 169

the refractive index n yields 170

= + 1 (4) 171

Using Vm = 18010 Aring3 and the total polarizability calculated above for albite yields the mean 172

refractive index ltngt = 1523 in excellent agreement with the experimentally determined value of 173

1524 (see albite entries in Table S1) 174

175 Results 176

This study lists the database of minerals and synthetic compounds used to calculate the empirical 177

polarizabilities by Shannon and Fischer (2016) Minerals are frequently classified using the 178

Strunz or Dana systems (Mills et al 2009) We have chosen to sort the minerals and synthetics 179

using the Dana classification in Danas New Mineralogy (Gaines et al (1997) and Danarsquos 180

classessubclasses with Borates as an example BoratesClass 24 Anhydrous Borates Class 25 181

9

Anhydrous Borates containing Hydroxyl or Halogen Class 26 Hydrated Borates containing 182

Hydroxl or Halogen and Class 27 Compound Borates 183

Table 2 summarizes information on selected oxide and hydroxide minerals or compounds 184

where with the exceptions of compounds showing steric strain and having edge- face-shared 185

and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 07 186

In column 1 we list the empirical composition of the mineral or synthetic compound In column 187

2 we list the mineral or compound name Column 3 lists the locality of a mineral when known or 188

whether the compound was prepared synthetically Columns 4-13 list nx ny nz ltnDgtobs 189

ltnDgtcalc Δ Vm Van ltαAEgt and reference In column 12 we list the total polarizability of a 190

mineral αAE a useful property that reflects its composition crystal structure and chemistry 191

(Shannon and Fischer 2016) 192

In some cases the cation sums in their respective crystallographic sites did not correspond to the 193

ideal or refined values of the sums of cations found from the structure analysis In many of those 194

minerals (approximately 35 out of the total of ~ 2000 minerals) the cation composition was 195

normalized to agree with the structure analysis identified as ldquonormalizedrdquo in column 5 (ldquoNotesrdquo 196

section) of Table 2 197

Table 3 summarizes the compositions found by chemical analysis and the normalized 198

composition for 6 silicates 5 phosphates 1 arsenate and 2 sulfate minerals Normalized cation 199

compositions generally did not differ by more than 5 from the chemical analytical value 200

Normalization generally improved the fit between α(obs) and α(calc) 201

Table S1 (Supplementary data1) contains the most important information in this work and 202

represents about 20 years of data compilation It summarizes the total data set of minerals and 203

synthetic compounds In column A we list the empirical composition of the mineral or synthetic 204

10

compound In general we preferred to use the empirical composition listed in the formal mineral 205

description eg Na206K095(Y077Dy009Gd 004Er004 Ho002Sm002Nd001Tb001) Si6O15 (moskvinite-206

Y Sokolova et al 2003) Occasionally when the empirical composition was not available we 207

used the composition found in structure analyses although these compositions are sometimes 208

idealized eg Na2KY(Si6O15) (see moskvinite-Y ICSD 97289) 209

In general integral numbers of H2O molecules were used in the compilation and 210

calculations of polarizabilities In some instances non-integral numbers were used In column B 211

we list the ideal mineral composition In column C we list the mineral or compound name In 212

columns D and E we list the Dana categories Column F contains descriptive notes eg structure 213

polytypes sample numbers from Deer Howie and Zussman and other information that helps 214

define a particular mineral sample Column G lists the locality of a mineral when known or 215

whether the compound was prepared synthetically Columns H-S list nx ny nz 216

ltnDgtobsltnDgtcalc Δn deviation () remarks Vm Van and ltαAEgt where Vm = molar volume in 217

Aring3 corresponding to the volume of one formula unit Van = anion molar volume and ltαAEgt is 218

the mean total polarizability calculated from the individual polarizabilities of the ions as 219

described above Columns T-X contain the refractive index reference 220

Figure 3 shows statistical data on the distribution of deviations between observed and 221

calculated refractive indices It clearly demonstrates that the majority of deviations is in the 222

range below 1 for 2377 entries Another 370 entries have deviations below 2 223

224

Implications 225

The comprehensive table presented here provides a set of accurate refractive index 226

composition unit cell volume and locality data for 1800 minerals and 1030 synthetic 227

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

Alfors JT Stinson MC and Matthews RA (1965) Seven new barium minerals from Eastern 247

Fresno County California American Mineralogist 50 314-340 248

Anderson OL (1975) Optical Properties of rock-forming minerals derived from atomic 249

properties Fortschritte der Mineralogie 52 611-629 250

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

Mineralogy Mineralogical Society of America Chantilly VA 20151-1110 USA 254

httpwwwhandbookofmineralogyorg 255

Armbruster T Oberhaumlnsli R and Kunz M (1993) Taikanite BaSr2Mn3+2O2[Si4O12] from the 256

Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

American Mineralogist 78 1088-1095 258

Bailly R (1948) Utilisation des radiations infra-rouge dans les recherche mineralogiques et en 259

particulier pour la determination des mineraux opaques Bulletin societe Francaise de 260

Mineralogie 70 49-145 261

Basso R Lucchetti G Zefiro L and Palenzona A (2000) Cerchiaraite a new natural Ba-262

Mn-mixed anion silicate chloride from the Cerchiara mine Northern Apennines Italy 263

Neues Jahrbuch fuumlr Mineralogie Monatshefte 2000 373-384 264

Belsky A Hellenbrandt M Karen V L and Luksch P (2002) New developments in the 265

Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

Bond WL (1965) Measurement of the refractive indices of several crystals Journal of Applied 270

Physics 36 1674-1677 271

Burianek M Birkenstock J Mair P Kahlenberg V Medenbach O Shannon RD and 272

Fischer RX (2016) High‑pressure synthesis long‑term stability of single crystals of 273

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

England 932 pp 298

Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

4

values of RIrsquos Generic refractive index values are only approximations when solid solutions 71

involving ions of greatly differing polarizabilities are present For example in the solid solution 72

series pyrope (Mg3Al2Si3O12) - knorringite (Mg3Cr2Si3O12) RI = 183 plusmn 001 for pure knorringite 73

(Ringwood 1977) as shown in Figure 1 whereas RI = 1803 for knorringite from Basutoland 74

South Africa with the composition Mg190Ca066Fe041Mn017Cr104Al086Fe007Si3O12 (Nixon and 75

Hornung 1968) Similarly in the solid solution series tephroite (Mn2SiO4) - (γ- Ca2SiO4 ) RI = 76

1772 1804 and 1814 for pure tephroite Mn2SiO4 (Greer 1932) as shown in Figure 2 77

whereas RI = 1761 1787 and 1799 for tephroite from Pajsberg Vaumlrmland Sweden with the 78

composition Mn185Mg015SiO4 (Shannon et al 2002) In the rare cases of minerals observed with 79

ideal stoiochiometric compositions the generic RI is valid This paper remedies most of those 80

shortcomings by providing observed and calculated RI values along with total polarizabilities 81

unit cells compositions and mineral localities for a large number of minerals and synthetic 82

compounds 83

84

Data Base 85

There are many sources of refractive index data Most provide only the refractive indices 86

with no information on (1) the specific composition and unit-cell dimensions associated with the 87

RI (2) the mineral locality or (3) a journal reference to the data Table 1 summarizes the 88

information in some important compilations of optical properties 89

The following sources were used Handbook of Mineralogy (Anthony et al 2015) 90

Danarsquos New Mineralogy (Gaines et al 1997) The Microscopic Determination of the 91

Nonopaque Minerals (Larsen 1921) Die oxydischen Kristallphasen der anorganischen 92

Industrieprodukte (Trojer 1963) Mineralogy Database (Webmineral 2015) Landolt-Boumlrnstein 93

5

(Hellwege and Hellwege 1962 1969 1979 1981) Rock-forming Minerals (Deer Howie and 94

Zussman 1963a 1963b 1978 1982 1986 1996) The volumes by Deer Howie and Zussman 95

provide RI composition source and reference with unit cells given for cubic compounds such 96

as garnets but not other families such as olivines pyroxenes tourmalines or humites although 97

references given there can sometimes be found with unit cell information 98

Information on synthetic compounds is generally more complete than on minerals 99

because the stoichimetry is known See for example Standard X-ray Diffraction Patterns NBS 100

Circular 539 and Monograph 25 Sections 1 - 18 (Swanson et al 1962-1981) The Microscopic 101

Characters of Artificial Inorganic Solid Substances or Artificial Minerals (Winchell 1931 102

Winchell and Winchell 1964) and Handbook of Laser Science and Technology 103

(Weber19861995) In these references the RI composition and unit cells are given but not 104

usually the associated journal references 105

The data necessary for this compilation are the refractive indices crystal structure unit-106

cell dimensions and chemical composition Refractive indices were taken from the publications 107

listed in Table 1 which includes Palache et al (1944 1951 1962) Gaines et al (1997) Deer 108

Howie and Zussman (1963a 1963b 1978 1982 1986 1996) Anthony et al (2015) Hintze 109

(1897 1915 1933 1938 1960 1968) Hellwege and Hellwege (1962 1969 1979 1981) 110

Nelson (1996) McLune (1989) Medenbach and Shannon (1997) Shannon et al (2002) 111

Shannon and Fischer (2016) Swanson et al (1962-1981) Webmineral (2015) Winchell (1931) 112

Winchell and Winchell (1964) They were also taken from the powder diffraction files of the 113

International Centre for Diffraction Data (ICDD) and descriptions of minerals in mineralogical 114

journals In general the above publications were used to locate the refractive indices and the 115

original publications Original publications were preferred in order to provide refractive indices 116

6

crystal structure unit-cell dimensions and chemical composition on the same sample 117

Occasionally unit-cell dimensions and composition were taken from the Inorganic Crystal 118

Structure Database (Belsky et al 2002) 119

The complete data set consisted of approximately 4000 refractive index measurements on 120

3000 minerals and 1000 synthetic compounds ~275 F-containing compounds 85 Cl-containing 121

compounds and 700 hydroxyl-containing compounds The data set contains 400 silicates 120 122

carbonates 20 nitrates~ 375 sulfates and 15 perchlorates [Table S1 in the supplements1 shows 123

a total of 2952 data on minerals and synthetic compounds] Some data were not included for 124

various reasons These are summarized in Table 3 of Shannon and Fischer (2016) and include 125

with a few examples 126

1 Poor or no analysis ndash composition uncertain taikanite (Armbruster et al 1993) cerchiaraite-127

Mn (Basso et al 2000) 128

2 Analysis total lt 100 eg haineaultite (McDonald and Chao 2004) 129

3 Rare earth ions not specified eg thalenite (Fitzpatrick and Pabst 1986) 130

4 Iron valence uncertain - Fe2+Fe3+ eg morimotoite (Henmi et al 1995) 131

5 H2O content uncertain eg hydroandradite (Peters 1965) 132

6 Zonation eg morimotoite (Henmi et al 1995) londonite (Simmons et al 2001) Zn 133

sonolite (Cook 1969) 134

7 Only two indices measured (common) eg liebenbergite (DeWaal and Calk 1973) 135

mercallite (Carobbi 1935) and 136

8 Crystal reacts with immersion fluid eg millosevichite (Miura et al 1994) 137

1 Deposit item AM-xx-xxxxx Supplemental Table Deposit items are free to all readers and found on the MSA web site via the specific issuersquos Table of Contents (go to httpwwwminsocamorgmsaammintoc2017)

7

Compounds containing lone-pair ions ( Tl+ Sn2+ Pb2+ As3+ Sb3+Bi3+ S4+ Se4+ Te4+ Cl5+ 138

Br5+ I5+) and uranyl ions U6+ (~425 compounds) showing systematic deviations between 139

observed and calculated RIrsquos were not included in the database (Shannon and Fischer 2016) as 140

well as compounds with duplicate RI measurements (~650 compounds) 141

Special cases include (1) 35 compounds with corner-shared octahedral (CSO) network and chain 142

structures (2) 40 compounds containing edge-sharing Fe3+ and Mn3+ octahedra (ESO) such as 143

LiFeO2 and goethite (FeOOH) (3) 40 alkali ion conductors and (4) 120 sterically-strained (SS) 144

structures with strong bond valence deviations (Shannon and Fischer 2016) Although these 145

~235 compounds show large deviations of observed to calculated polarizabilities they 146

nevertheless have excellent optical data included in Table S1 147

148 Calculation of refractive indices 149

Refractive indices are calculated using the polarizabilities of cations and anions compiled in 150

Shannon and Fischer (2016) The cation polarizabilities are simply additive The anion 151

polarizabilities are calculated using the relationship 152

= ∙ 10 (1) 153

with minusα = anion polarizability ominusα = free-ion polarizability and Van = anion molar volume 154

(calculated from the molar volume Vm divided by the number of O2- F- Cl- OH- and H2O in the 155

formula unit) as described by Shannon and Fischer (2006) However the exponent n of the anion 156

volume was empirically determined to yield the best results for n = 12 (see Shannon and 157

Fischer 2016) The and parameters are listed in Table 5 in Shannon and Fischer (2016) 158

Summing cation and anion polarizabilities yields the total polarizability of a compound As an 159

example the total polarizability of orthoclase KAlSi3O8 is calculated according to α(K) + α(Al) 160

8

+ 3timesα(Si) + 8timesα(O) = 135 + 0533 + 3 ∙ 0284 + 8 ∙ 179 ∙ 10 = 15724 Aring3 In a 161

classical approach also used by Shannon and Fischer (2006) the mean refractive index can be 162

calculated from the total polarizability using the Lorenz-Lorentz relationship solved for n 163

211

2

2

+minus

sdot=nn

Vb mLLα (2) 164

with the Lorentz factor b = 4π3 Vm = molar volume in Aring3 and n = the mean refractive index 165

In Shannon and Fischer (2016) and thus also here we are using a relationship modified by 166

Anderson (1975) and Eggleton (1991) 167

= (3) 168

with the electronic overlap factor empirically determined to be c = 226 This equation solved for 169

the refractive index n yields 170

= + 1 (4) 171

Using Vm = 18010 Aring3 and the total polarizability calculated above for albite yields the mean 172

refractive index ltngt = 1523 in excellent agreement with the experimentally determined value of 173

1524 (see albite entries in Table S1) 174

175 Results 176

This study lists the database of minerals and synthetic compounds used to calculate the empirical 177

polarizabilities by Shannon and Fischer (2016) Minerals are frequently classified using the 178

Strunz or Dana systems (Mills et al 2009) We have chosen to sort the minerals and synthetics 179

using the Dana classification in Danas New Mineralogy (Gaines et al (1997) and Danarsquos 180

classessubclasses with Borates as an example BoratesClass 24 Anhydrous Borates Class 25 181

9

Anhydrous Borates containing Hydroxyl or Halogen Class 26 Hydrated Borates containing 182

Hydroxl or Halogen and Class 27 Compound Borates 183

Table 2 summarizes information on selected oxide and hydroxide minerals or compounds 184

where with the exceptions of compounds showing steric strain and having edge- face-shared 185

and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 07 186

In column 1 we list the empirical composition of the mineral or synthetic compound In column 187

2 we list the mineral or compound name Column 3 lists the locality of a mineral when known or 188

whether the compound was prepared synthetically Columns 4-13 list nx ny nz ltnDgtobs 189

ltnDgtcalc Δ Vm Van ltαAEgt and reference In column 12 we list the total polarizability of a 190

mineral αAE a useful property that reflects its composition crystal structure and chemistry 191

(Shannon and Fischer 2016) 192

In some cases the cation sums in their respective crystallographic sites did not correspond to the 193

ideal or refined values of the sums of cations found from the structure analysis In many of those 194

minerals (approximately 35 out of the total of ~ 2000 minerals) the cation composition was 195

normalized to agree with the structure analysis identified as ldquonormalizedrdquo in column 5 (ldquoNotesrdquo 196

section) of Table 2 197

Table 3 summarizes the compositions found by chemical analysis and the normalized 198

composition for 6 silicates 5 phosphates 1 arsenate and 2 sulfate minerals Normalized cation 199

compositions generally did not differ by more than 5 from the chemical analytical value 200

Normalization generally improved the fit between α(obs) and α(calc) 201

Table S1 (Supplementary data1) contains the most important information in this work and 202

represents about 20 years of data compilation It summarizes the total data set of minerals and 203

synthetic compounds In column A we list the empirical composition of the mineral or synthetic 204

10

compound In general we preferred to use the empirical composition listed in the formal mineral 205

description eg Na206K095(Y077Dy009Gd 004Er004 Ho002Sm002Nd001Tb001) Si6O15 (moskvinite-206

Y Sokolova et al 2003) Occasionally when the empirical composition was not available we 207

used the composition found in structure analyses although these compositions are sometimes 208

idealized eg Na2KY(Si6O15) (see moskvinite-Y ICSD 97289) 209

In general integral numbers of H2O molecules were used in the compilation and 210

calculations of polarizabilities In some instances non-integral numbers were used In column B 211

we list the ideal mineral composition In column C we list the mineral or compound name In 212

columns D and E we list the Dana categories Column F contains descriptive notes eg structure 213

polytypes sample numbers from Deer Howie and Zussman and other information that helps 214

define a particular mineral sample Column G lists the locality of a mineral when known or 215

whether the compound was prepared synthetically Columns H-S list nx ny nz 216

ltnDgtobsltnDgtcalc Δn deviation () remarks Vm Van and ltαAEgt where Vm = molar volume in 217

Aring3 corresponding to the volume of one formula unit Van = anion molar volume and ltαAEgt is 218

the mean total polarizability calculated from the individual polarizabilities of the ions as 219

described above Columns T-X contain the refractive index reference 220

Figure 3 shows statistical data on the distribution of deviations between observed and 221

calculated refractive indices It clearly demonstrates that the majority of deviations is in the 222

range below 1 for 2377 entries Another 370 entries have deviations below 2 223

224

Implications 225

The comprehensive table presented here provides a set of accurate refractive index 226

composition unit cell volume and locality data for 1800 minerals and 1030 synthetic 227

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

Alfors JT Stinson MC and Matthews RA (1965) Seven new barium minerals from Eastern 247

Fresno County California American Mineralogist 50 314-340 248

Anderson OL (1975) Optical Properties of rock-forming minerals derived from atomic 249

properties Fortschritte der Mineralogie 52 611-629 250

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

Mineralogy Mineralogical Society of America Chantilly VA 20151-1110 USA 254

httpwwwhandbookofmineralogyorg 255

Armbruster T Oberhaumlnsli R and Kunz M (1993) Taikanite BaSr2Mn3+2O2[Si4O12] from the 256

Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

American Mineralogist 78 1088-1095 258

Bailly R (1948) Utilisation des radiations infra-rouge dans les recherche mineralogiques et en 259

particulier pour la determination des mineraux opaques Bulletin societe Francaise de 260

Mineralogie 70 49-145 261

Basso R Lucchetti G Zefiro L and Palenzona A (2000) Cerchiaraite a new natural Ba-262

Mn-mixed anion silicate chloride from the Cerchiara mine Northern Apennines Italy 263

Neues Jahrbuch fuumlr Mineralogie Monatshefte 2000 373-384 264

Belsky A Hellenbrandt M Karen V L and Luksch P (2002) New developments in the 265

Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

Bond WL (1965) Measurement of the refractive indices of several crystals Journal of Applied 270

Physics 36 1674-1677 271

Burianek M Birkenstock J Mair P Kahlenberg V Medenbach O Shannon RD and 272

Fischer RX (2016) High‑pressure synthesis long‑term stability of single crystals of 273

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

England 932 pp 298

Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

5

(Hellwege and Hellwege 1962 1969 1979 1981) Rock-forming Minerals (Deer Howie and 94

Zussman 1963a 1963b 1978 1982 1986 1996) The volumes by Deer Howie and Zussman 95

provide RI composition source and reference with unit cells given for cubic compounds such 96

as garnets but not other families such as olivines pyroxenes tourmalines or humites although 97

references given there can sometimes be found with unit cell information 98

Information on synthetic compounds is generally more complete than on minerals 99

because the stoichimetry is known See for example Standard X-ray Diffraction Patterns NBS 100

Circular 539 and Monograph 25 Sections 1 - 18 (Swanson et al 1962-1981) The Microscopic 101

Characters of Artificial Inorganic Solid Substances or Artificial Minerals (Winchell 1931 102

Winchell and Winchell 1964) and Handbook of Laser Science and Technology 103

(Weber19861995) In these references the RI composition and unit cells are given but not 104

usually the associated journal references 105

The data necessary for this compilation are the refractive indices crystal structure unit-106

cell dimensions and chemical composition Refractive indices were taken from the publications 107

listed in Table 1 which includes Palache et al (1944 1951 1962) Gaines et al (1997) Deer 108

Howie and Zussman (1963a 1963b 1978 1982 1986 1996) Anthony et al (2015) Hintze 109

(1897 1915 1933 1938 1960 1968) Hellwege and Hellwege (1962 1969 1979 1981) 110

Nelson (1996) McLune (1989) Medenbach and Shannon (1997) Shannon et al (2002) 111

Shannon and Fischer (2016) Swanson et al (1962-1981) Webmineral (2015) Winchell (1931) 112

Winchell and Winchell (1964) They were also taken from the powder diffraction files of the 113

International Centre for Diffraction Data (ICDD) and descriptions of minerals in mineralogical 114

journals In general the above publications were used to locate the refractive indices and the 115

original publications Original publications were preferred in order to provide refractive indices 116

6

crystal structure unit-cell dimensions and chemical composition on the same sample 117

Occasionally unit-cell dimensions and composition were taken from the Inorganic Crystal 118

Structure Database (Belsky et al 2002) 119

The complete data set consisted of approximately 4000 refractive index measurements on 120

3000 minerals and 1000 synthetic compounds ~275 F-containing compounds 85 Cl-containing 121

compounds and 700 hydroxyl-containing compounds The data set contains 400 silicates 120 122

carbonates 20 nitrates~ 375 sulfates and 15 perchlorates [Table S1 in the supplements1 shows 123

a total of 2952 data on minerals and synthetic compounds] Some data were not included for 124

various reasons These are summarized in Table 3 of Shannon and Fischer (2016) and include 125

with a few examples 126

1 Poor or no analysis ndash composition uncertain taikanite (Armbruster et al 1993) cerchiaraite-127

Mn (Basso et al 2000) 128

2 Analysis total lt 100 eg haineaultite (McDonald and Chao 2004) 129

3 Rare earth ions not specified eg thalenite (Fitzpatrick and Pabst 1986) 130

4 Iron valence uncertain - Fe2+Fe3+ eg morimotoite (Henmi et al 1995) 131

5 H2O content uncertain eg hydroandradite (Peters 1965) 132

6 Zonation eg morimotoite (Henmi et al 1995) londonite (Simmons et al 2001) Zn 133

sonolite (Cook 1969) 134

7 Only two indices measured (common) eg liebenbergite (DeWaal and Calk 1973) 135

mercallite (Carobbi 1935) and 136

8 Crystal reacts with immersion fluid eg millosevichite (Miura et al 1994) 137

1 Deposit item AM-xx-xxxxx Supplemental Table Deposit items are free to all readers and found on the MSA web site via the specific issuersquos Table of Contents (go to httpwwwminsocamorgmsaammintoc2017)

7

Compounds containing lone-pair ions ( Tl+ Sn2+ Pb2+ As3+ Sb3+Bi3+ S4+ Se4+ Te4+ Cl5+ 138

Br5+ I5+) and uranyl ions U6+ (~425 compounds) showing systematic deviations between 139

observed and calculated RIrsquos were not included in the database (Shannon and Fischer 2016) as 140

well as compounds with duplicate RI measurements (~650 compounds) 141

Special cases include (1) 35 compounds with corner-shared octahedral (CSO) network and chain 142

structures (2) 40 compounds containing edge-sharing Fe3+ and Mn3+ octahedra (ESO) such as 143

LiFeO2 and goethite (FeOOH) (3) 40 alkali ion conductors and (4) 120 sterically-strained (SS) 144

structures with strong bond valence deviations (Shannon and Fischer 2016) Although these 145

~235 compounds show large deviations of observed to calculated polarizabilities they 146

nevertheless have excellent optical data included in Table S1 147

148 Calculation of refractive indices 149

Refractive indices are calculated using the polarizabilities of cations and anions compiled in 150

Shannon and Fischer (2016) The cation polarizabilities are simply additive The anion 151

polarizabilities are calculated using the relationship 152

= ∙ 10 (1) 153

with minusα = anion polarizability ominusα = free-ion polarizability and Van = anion molar volume 154

(calculated from the molar volume Vm divided by the number of O2- F- Cl- OH- and H2O in the 155

formula unit) as described by Shannon and Fischer (2006) However the exponent n of the anion 156

volume was empirically determined to yield the best results for n = 12 (see Shannon and 157

Fischer 2016) The and parameters are listed in Table 5 in Shannon and Fischer (2016) 158

Summing cation and anion polarizabilities yields the total polarizability of a compound As an 159

example the total polarizability of orthoclase KAlSi3O8 is calculated according to α(K) + α(Al) 160

8

+ 3timesα(Si) + 8timesα(O) = 135 + 0533 + 3 ∙ 0284 + 8 ∙ 179 ∙ 10 = 15724 Aring3 In a 161

classical approach also used by Shannon and Fischer (2006) the mean refractive index can be 162

calculated from the total polarizability using the Lorenz-Lorentz relationship solved for n 163

211

2

2

+minus

sdot=nn

Vb mLLα (2) 164

with the Lorentz factor b = 4π3 Vm = molar volume in Aring3 and n = the mean refractive index 165

In Shannon and Fischer (2016) and thus also here we are using a relationship modified by 166

Anderson (1975) and Eggleton (1991) 167

= (3) 168

with the electronic overlap factor empirically determined to be c = 226 This equation solved for 169

the refractive index n yields 170

= + 1 (4) 171

Using Vm = 18010 Aring3 and the total polarizability calculated above for albite yields the mean 172

refractive index ltngt = 1523 in excellent agreement with the experimentally determined value of 173

1524 (see albite entries in Table S1) 174

175 Results 176

This study lists the database of minerals and synthetic compounds used to calculate the empirical 177

polarizabilities by Shannon and Fischer (2016) Minerals are frequently classified using the 178

Strunz or Dana systems (Mills et al 2009) We have chosen to sort the minerals and synthetics 179

using the Dana classification in Danas New Mineralogy (Gaines et al (1997) and Danarsquos 180

classessubclasses with Borates as an example BoratesClass 24 Anhydrous Borates Class 25 181

9

Anhydrous Borates containing Hydroxyl or Halogen Class 26 Hydrated Borates containing 182

Hydroxl or Halogen and Class 27 Compound Borates 183

Table 2 summarizes information on selected oxide and hydroxide minerals or compounds 184

where with the exceptions of compounds showing steric strain and having edge- face-shared 185

and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 07 186

In column 1 we list the empirical composition of the mineral or synthetic compound In column 187

2 we list the mineral or compound name Column 3 lists the locality of a mineral when known or 188

whether the compound was prepared synthetically Columns 4-13 list nx ny nz ltnDgtobs 189

ltnDgtcalc Δ Vm Van ltαAEgt and reference In column 12 we list the total polarizability of a 190

mineral αAE a useful property that reflects its composition crystal structure and chemistry 191

(Shannon and Fischer 2016) 192

In some cases the cation sums in their respective crystallographic sites did not correspond to the 193

ideal or refined values of the sums of cations found from the structure analysis In many of those 194

minerals (approximately 35 out of the total of ~ 2000 minerals) the cation composition was 195

normalized to agree with the structure analysis identified as ldquonormalizedrdquo in column 5 (ldquoNotesrdquo 196

section) of Table 2 197

Table 3 summarizes the compositions found by chemical analysis and the normalized 198

composition for 6 silicates 5 phosphates 1 arsenate and 2 sulfate minerals Normalized cation 199

compositions generally did not differ by more than 5 from the chemical analytical value 200

Normalization generally improved the fit between α(obs) and α(calc) 201

Table S1 (Supplementary data1) contains the most important information in this work and 202

represents about 20 years of data compilation It summarizes the total data set of minerals and 203

synthetic compounds In column A we list the empirical composition of the mineral or synthetic 204

10

compound In general we preferred to use the empirical composition listed in the formal mineral 205

description eg Na206K095(Y077Dy009Gd 004Er004 Ho002Sm002Nd001Tb001) Si6O15 (moskvinite-206

Y Sokolova et al 2003) Occasionally when the empirical composition was not available we 207

used the composition found in structure analyses although these compositions are sometimes 208

idealized eg Na2KY(Si6O15) (see moskvinite-Y ICSD 97289) 209

In general integral numbers of H2O molecules were used in the compilation and 210

calculations of polarizabilities In some instances non-integral numbers were used In column B 211

we list the ideal mineral composition In column C we list the mineral or compound name In 212

columns D and E we list the Dana categories Column F contains descriptive notes eg structure 213

polytypes sample numbers from Deer Howie and Zussman and other information that helps 214

define a particular mineral sample Column G lists the locality of a mineral when known or 215

whether the compound was prepared synthetically Columns H-S list nx ny nz 216

ltnDgtobsltnDgtcalc Δn deviation () remarks Vm Van and ltαAEgt where Vm = molar volume in 217

Aring3 corresponding to the volume of one formula unit Van = anion molar volume and ltαAEgt is 218

the mean total polarizability calculated from the individual polarizabilities of the ions as 219

described above Columns T-X contain the refractive index reference 220

Figure 3 shows statistical data on the distribution of deviations between observed and 221

calculated refractive indices It clearly demonstrates that the majority of deviations is in the 222

range below 1 for 2377 entries Another 370 entries have deviations below 2 223

224

Implications 225

The comprehensive table presented here provides a set of accurate refractive index 226

composition unit cell volume and locality data for 1800 minerals and 1030 synthetic 227

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

Alfors JT Stinson MC and Matthews RA (1965) Seven new barium minerals from Eastern 247

Fresno County California American Mineralogist 50 314-340 248

Anderson OL (1975) Optical Properties of rock-forming minerals derived from atomic 249

properties Fortschritte der Mineralogie 52 611-629 250

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

Mineralogy Mineralogical Society of America Chantilly VA 20151-1110 USA 254

httpwwwhandbookofmineralogyorg 255

Armbruster T Oberhaumlnsli R and Kunz M (1993) Taikanite BaSr2Mn3+2O2[Si4O12] from the 256

Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

American Mineralogist 78 1088-1095 258

Bailly R (1948) Utilisation des radiations infra-rouge dans les recherche mineralogiques et en 259

particulier pour la determination des mineraux opaques Bulletin societe Francaise de 260

Mineralogie 70 49-145 261

Basso R Lucchetti G Zefiro L and Palenzona A (2000) Cerchiaraite a new natural Ba-262

Mn-mixed anion silicate chloride from the Cerchiara mine Northern Apennines Italy 263

Neues Jahrbuch fuumlr Mineralogie Monatshefte 2000 373-384 264

Belsky A Hellenbrandt M Karen V L and Luksch P (2002) New developments in the 265

Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

Bond WL (1965) Measurement of the refractive indices of several crystals Journal of Applied 270

Physics 36 1674-1677 271

Burianek M Birkenstock J Mair P Kahlenberg V Medenbach O Shannon RD and 272

Fischer RX (2016) High‑pressure synthesis long‑term stability of single crystals of 273

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

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Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

6

crystal structure unit-cell dimensions and chemical composition on the same sample 117

Occasionally unit-cell dimensions and composition were taken from the Inorganic Crystal 118

Structure Database (Belsky et al 2002) 119

The complete data set consisted of approximately 4000 refractive index measurements on 120

3000 minerals and 1000 synthetic compounds ~275 F-containing compounds 85 Cl-containing 121

compounds and 700 hydroxyl-containing compounds The data set contains 400 silicates 120 122

carbonates 20 nitrates~ 375 sulfates and 15 perchlorates [Table S1 in the supplements1 shows 123

a total of 2952 data on minerals and synthetic compounds] Some data were not included for 124

various reasons These are summarized in Table 3 of Shannon and Fischer (2016) and include 125

with a few examples 126

1 Poor or no analysis ndash composition uncertain taikanite (Armbruster et al 1993) cerchiaraite-127

Mn (Basso et al 2000) 128

2 Analysis total lt 100 eg haineaultite (McDonald and Chao 2004) 129

3 Rare earth ions not specified eg thalenite (Fitzpatrick and Pabst 1986) 130

4 Iron valence uncertain - Fe2+Fe3+ eg morimotoite (Henmi et al 1995) 131

5 H2O content uncertain eg hydroandradite (Peters 1965) 132

6 Zonation eg morimotoite (Henmi et al 1995) londonite (Simmons et al 2001) Zn 133

sonolite (Cook 1969) 134

7 Only two indices measured (common) eg liebenbergite (DeWaal and Calk 1973) 135

mercallite (Carobbi 1935) and 136

8 Crystal reacts with immersion fluid eg millosevichite (Miura et al 1994) 137

1 Deposit item AM-xx-xxxxx Supplemental Table Deposit items are free to all readers and found on the MSA web site via the specific issuersquos Table of Contents (go to httpwwwminsocamorgmsaammintoc2017)

7

Compounds containing lone-pair ions ( Tl+ Sn2+ Pb2+ As3+ Sb3+Bi3+ S4+ Se4+ Te4+ Cl5+ 138

Br5+ I5+) and uranyl ions U6+ (~425 compounds) showing systematic deviations between 139

observed and calculated RIrsquos were not included in the database (Shannon and Fischer 2016) as 140

well as compounds with duplicate RI measurements (~650 compounds) 141

Special cases include (1) 35 compounds with corner-shared octahedral (CSO) network and chain 142

structures (2) 40 compounds containing edge-sharing Fe3+ and Mn3+ octahedra (ESO) such as 143

LiFeO2 and goethite (FeOOH) (3) 40 alkali ion conductors and (4) 120 sterically-strained (SS) 144

structures with strong bond valence deviations (Shannon and Fischer 2016) Although these 145

~235 compounds show large deviations of observed to calculated polarizabilities they 146

nevertheless have excellent optical data included in Table S1 147

148 Calculation of refractive indices 149

Refractive indices are calculated using the polarizabilities of cations and anions compiled in 150

Shannon and Fischer (2016) The cation polarizabilities are simply additive The anion 151

polarizabilities are calculated using the relationship 152

= ∙ 10 (1) 153

with minusα = anion polarizability ominusα = free-ion polarizability and Van = anion molar volume 154

(calculated from the molar volume Vm divided by the number of O2- F- Cl- OH- and H2O in the 155

formula unit) as described by Shannon and Fischer (2006) However the exponent n of the anion 156

volume was empirically determined to yield the best results for n = 12 (see Shannon and 157

Fischer 2016) The and parameters are listed in Table 5 in Shannon and Fischer (2016) 158

Summing cation and anion polarizabilities yields the total polarizability of a compound As an 159

example the total polarizability of orthoclase KAlSi3O8 is calculated according to α(K) + α(Al) 160

8

+ 3timesα(Si) + 8timesα(O) = 135 + 0533 + 3 ∙ 0284 + 8 ∙ 179 ∙ 10 = 15724 Aring3 In a 161

classical approach also used by Shannon and Fischer (2006) the mean refractive index can be 162

calculated from the total polarizability using the Lorenz-Lorentz relationship solved for n 163

211

2

2

+minus

sdot=nn

Vb mLLα (2) 164

with the Lorentz factor b = 4π3 Vm = molar volume in Aring3 and n = the mean refractive index 165

In Shannon and Fischer (2016) and thus also here we are using a relationship modified by 166

Anderson (1975) and Eggleton (1991) 167

= (3) 168

with the electronic overlap factor empirically determined to be c = 226 This equation solved for 169

the refractive index n yields 170

= + 1 (4) 171

Using Vm = 18010 Aring3 and the total polarizability calculated above for albite yields the mean 172

refractive index ltngt = 1523 in excellent agreement with the experimentally determined value of 173

1524 (see albite entries in Table S1) 174

175 Results 176

This study lists the database of minerals and synthetic compounds used to calculate the empirical 177

polarizabilities by Shannon and Fischer (2016) Minerals are frequently classified using the 178

Strunz or Dana systems (Mills et al 2009) We have chosen to sort the minerals and synthetics 179

using the Dana classification in Danas New Mineralogy (Gaines et al (1997) and Danarsquos 180

classessubclasses with Borates as an example BoratesClass 24 Anhydrous Borates Class 25 181

9

Anhydrous Borates containing Hydroxyl or Halogen Class 26 Hydrated Borates containing 182

Hydroxl or Halogen and Class 27 Compound Borates 183

Table 2 summarizes information on selected oxide and hydroxide minerals or compounds 184

where with the exceptions of compounds showing steric strain and having edge- face-shared 185

and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 07 186

In column 1 we list the empirical composition of the mineral or synthetic compound In column 187

2 we list the mineral or compound name Column 3 lists the locality of a mineral when known or 188

whether the compound was prepared synthetically Columns 4-13 list nx ny nz ltnDgtobs 189

ltnDgtcalc Δ Vm Van ltαAEgt and reference In column 12 we list the total polarizability of a 190

mineral αAE a useful property that reflects its composition crystal structure and chemistry 191

(Shannon and Fischer 2016) 192

In some cases the cation sums in their respective crystallographic sites did not correspond to the 193

ideal or refined values of the sums of cations found from the structure analysis In many of those 194

minerals (approximately 35 out of the total of ~ 2000 minerals) the cation composition was 195

normalized to agree with the structure analysis identified as ldquonormalizedrdquo in column 5 (ldquoNotesrdquo 196

section) of Table 2 197

Table 3 summarizes the compositions found by chemical analysis and the normalized 198

composition for 6 silicates 5 phosphates 1 arsenate and 2 sulfate minerals Normalized cation 199

compositions generally did not differ by more than 5 from the chemical analytical value 200

Normalization generally improved the fit between α(obs) and α(calc) 201

Table S1 (Supplementary data1) contains the most important information in this work and 202

represents about 20 years of data compilation It summarizes the total data set of minerals and 203

synthetic compounds In column A we list the empirical composition of the mineral or synthetic 204

10

compound In general we preferred to use the empirical composition listed in the formal mineral 205

description eg Na206K095(Y077Dy009Gd 004Er004 Ho002Sm002Nd001Tb001) Si6O15 (moskvinite-206

Y Sokolova et al 2003) Occasionally when the empirical composition was not available we 207

used the composition found in structure analyses although these compositions are sometimes 208

idealized eg Na2KY(Si6O15) (see moskvinite-Y ICSD 97289) 209

In general integral numbers of H2O molecules were used in the compilation and 210

calculations of polarizabilities In some instances non-integral numbers were used In column B 211

we list the ideal mineral composition In column C we list the mineral or compound name In 212

columns D and E we list the Dana categories Column F contains descriptive notes eg structure 213

polytypes sample numbers from Deer Howie and Zussman and other information that helps 214

define a particular mineral sample Column G lists the locality of a mineral when known or 215

whether the compound was prepared synthetically Columns H-S list nx ny nz 216

ltnDgtobsltnDgtcalc Δn deviation () remarks Vm Van and ltαAEgt where Vm = molar volume in 217

Aring3 corresponding to the volume of one formula unit Van = anion molar volume and ltαAEgt is 218

the mean total polarizability calculated from the individual polarizabilities of the ions as 219

described above Columns T-X contain the refractive index reference 220

Figure 3 shows statistical data on the distribution of deviations between observed and 221

calculated refractive indices It clearly demonstrates that the majority of deviations is in the 222

range below 1 for 2377 entries Another 370 entries have deviations below 2 223

224

Implications 225

The comprehensive table presented here provides a set of accurate refractive index 226

composition unit cell volume and locality data for 1800 minerals and 1030 synthetic 227

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

Alfors JT Stinson MC and Matthews RA (1965) Seven new barium minerals from Eastern 247

Fresno County California American Mineralogist 50 314-340 248

Anderson OL (1975) Optical Properties of rock-forming minerals derived from atomic 249

properties Fortschritte der Mineralogie 52 611-629 250

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

Mineralogy Mineralogical Society of America Chantilly VA 20151-1110 USA 254

httpwwwhandbookofmineralogyorg 255

Armbruster T Oberhaumlnsli R and Kunz M (1993) Taikanite BaSr2Mn3+2O2[Si4O12] from the 256

Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

American Mineralogist 78 1088-1095 258

Bailly R (1948) Utilisation des radiations infra-rouge dans les recherche mineralogiques et en 259

particulier pour la determination des mineraux opaques Bulletin societe Francaise de 260

Mineralogie 70 49-145 261

Basso R Lucchetti G Zefiro L and Palenzona A (2000) Cerchiaraite a new natural Ba-262

Mn-mixed anion silicate chloride from the Cerchiara mine Northern Apennines Italy 263

Neues Jahrbuch fuumlr Mineralogie Monatshefte 2000 373-384 264

Belsky A Hellenbrandt M Karen V L and Luksch P (2002) New developments in the 265

Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

Bond WL (1965) Measurement of the refractive indices of several crystals Journal of Applied 270

Physics 36 1674-1677 271

Burianek M Birkenstock J Mair P Kahlenberg V Medenbach O Shannon RD and 272

Fischer RX (2016) High‑pressure synthesis long‑term stability of single crystals of 273

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

England 932 pp 298

Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

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frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

7

Compounds containing lone-pair ions ( Tl+ Sn2+ Pb2+ As3+ Sb3+Bi3+ S4+ Se4+ Te4+ Cl5+ 138

Br5+ I5+) and uranyl ions U6+ (~425 compounds) showing systematic deviations between 139

observed and calculated RIrsquos were not included in the database (Shannon and Fischer 2016) as 140

well as compounds with duplicate RI measurements (~650 compounds) 141

Special cases include (1) 35 compounds with corner-shared octahedral (CSO) network and chain 142

structures (2) 40 compounds containing edge-sharing Fe3+ and Mn3+ octahedra (ESO) such as 143

LiFeO2 and goethite (FeOOH) (3) 40 alkali ion conductors and (4) 120 sterically-strained (SS) 144

structures with strong bond valence deviations (Shannon and Fischer 2016) Although these 145

~235 compounds show large deviations of observed to calculated polarizabilities they 146

nevertheless have excellent optical data included in Table S1 147

148 Calculation of refractive indices 149

Refractive indices are calculated using the polarizabilities of cations and anions compiled in 150

Shannon and Fischer (2016) The cation polarizabilities are simply additive The anion 151

polarizabilities are calculated using the relationship 152

= ∙ 10 (1) 153

with minusα = anion polarizability ominusα = free-ion polarizability and Van = anion molar volume 154

(calculated from the molar volume Vm divided by the number of O2- F- Cl- OH- and H2O in the 155

formula unit) as described by Shannon and Fischer (2006) However the exponent n of the anion 156

volume was empirically determined to yield the best results for n = 12 (see Shannon and 157

Fischer 2016) The and parameters are listed in Table 5 in Shannon and Fischer (2016) 158

Summing cation and anion polarizabilities yields the total polarizability of a compound As an 159

example the total polarizability of orthoclase KAlSi3O8 is calculated according to α(K) + α(Al) 160

8

+ 3timesα(Si) + 8timesα(O) = 135 + 0533 + 3 ∙ 0284 + 8 ∙ 179 ∙ 10 = 15724 Aring3 In a 161

classical approach also used by Shannon and Fischer (2006) the mean refractive index can be 162

calculated from the total polarizability using the Lorenz-Lorentz relationship solved for n 163

211

2

2

+minus

sdot=nn

Vb mLLα (2) 164

with the Lorentz factor b = 4π3 Vm = molar volume in Aring3 and n = the mean refractive index 165

In Shannon and Fischer (2016) and thus also here we are using a relationship modified by 166

Anderson (1975) and Eggleton (1991) 167

= (3) 168

with the electronic overlap factor empirically determined to be c = 226 This equation solved for 169

the refractive index n yields 170

= + 1 (4) 171

Using Vm = 18010 Aring3 and the total polarizability calculated above for albite yields the mean 172

refractive index ltngt = 1523 in excellent agreement with the experimentally determined value of 173

1524 (see albite entries in Table S1) 174

175 Results 176

This study lists the database of minerals and synthetic compounds used to calculate the empirical 177

polarizabilities by Shannon and Fischer (2016) Minerals are frequently classified using the 178

Strunz or Dana systems (Mills et al 2009) We have chosen to sort the minerals and synthetics 179

using the Dana classification in Danas New Mineralogy (Gaines et al (1997) and Danarsquos 180

classessubclasses with Borates as an example BoratesClass 24 Anhydrous Borates Class 25 181

9

Anhydrous Borates containing Hydroxyl or Halogen Class 26 Hydrated Borates containing 182

Hydroxl or Halogen and Class 27 Compound Borates 183

Table 2 summarizes information on selected oxide and hydroxide minerals or compounds 184

where with the exceptions of compounds showing steric strain and having edge- face-shared 185

and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 07 186

In column 1 we list the empirical composition of the mineral or synthetic compound In column 187

2 we list the mineral or compound name Column 3 lists the locality of a mineral when known or 188

whether the compound was prepared synthetically Columns 4-13 list nx ny nz ltnDgtobs 189

ltnDgtcalc Δ Vm Van ltαAEgt and reference In column 12 we list the total polarizability of a 190

mineral αAE a useful property that reflects its composition crystal structure and chemistry 191

(Shannon and Fischer 2016) 192

In some cases the cation sums in their respective crystallographic sites did not correspond to the 193

ideal or refined values of the sums of cations found from the structure analysis In many of those 194

minerals (approximately 35 out of the total of ~ 2000 minerals) the cation composition was 195

normalized to agree with the structure analysis identified as ldquonormalizedrdquo in column 5 (ldquoNotesrdquo 196

section) of Table 2 197

Table 3 summarizes the compositions found by chemical analysis and the normalized 198

composition for 6 silicates 5 phosphates 1 arsenate and 2 sulfate minerals Normalized cation 199

compositions generally did not differ by more than 5 from the chemical analytical value 200

Normalization generally improved the fit between α(obs) and α(calc) 201

Table S1 (Supplementary data1) contains the most important information in this work and 202

represents about 20 years of data compilation It summarizes the total data set of minerals and 203

synthetic compounds In column A we list the empirical composition of the mineral or synthetic 204

10

compound In general we preferred to use the empirical composition listed in the formal mineral 205

description eg Na206K095(Y077Dy009Gd 004Er004 Ho002Sm002Nd001Tb001) Si6O15 (moskvinite-206

Y Sokolova et al 2003) Occasionally when the empirical composition was not available we 207

used the composition found in structure analyses although these compositions are sometimes 208

idealized eg Na2KY(Si6O15) (see moskvinite-Y ICSD 97289) 209

In general integral numbers of H2O molecules were used in the compilation and 210

calculations of polarizabilities In some instances non-integral numbers were used In column B 211

we list the ideal mineral composition In column C we list the mineral or compound name In 212

columns D and E we list the Dana categories Column F contains descriptive notes eg structure 213

polytypes sample numbers from Deer Howie and Zussman and other information that helps 214

define a particular mineral sample Column G lists the locality of a mineral when known or 215

whether the compound was prepared synthetically Columns H-S list nx ny nz 216

ltnDgtobsltnDgtcalc Δn deviation () remarks Vm Van and ltαAEgt where Vm = molar volume in 217

Aring3 corresponding to the volume of one formula unit Van = anion molar volume and ltαAEgt is 218

the mean total polarizability calculated from the individual polarizabilities of the ions as 219

described above Columns T-X contain the refractive index reference 220

Figure 3 shows statistical data on the distribution of deviations between observed and 221

calculated refractive indices It clearly demonstrates that the majority of deviations is in the 222

range below 1 for 2377 entries Another 370 entries have deviations below 2 223

224

Implications 225

The comprehensive table presented here provides a set of accurate refractive index 226

composition unit cell volume and locality data for 1800 minerals and 1030 synthetic 227

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

Alfors JT Stinson MC and Matthews RA (1965) Seven new barium minerals from Eastern 247

Fresno County California American Mineralogist 50 314-340 248

Anderson OL (1975) Optical Properties of rock-forming minerals derived from atomic 249

properties Fortschritte der Mineralogie 52 611-629 250

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

Mineralogy Mineralogical Society of America Chantilly VA 20151-1110 USA 254

httpwwwhandbookofmineralogyorg 255

Armbruster T Oberhaumlnsli R and Kunz M (1993) Taikanite BaSr2Mn3+2O2[Si4O12] from the 256

Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

American Mineralogist 78 1088-1095 258

Bailly R (1948) Utilisation des radiations infra-rouge dans les recherche mineralogiques et en 259

particulier pour la determination des mineraux opaques Bulletin societe Francaise de 260

Mineralogie 70 49-145 261

Basso R Lucchetti G Zefiro L and Palenzona A (2000) Cerchiaraite a new natural Ba-262

Mn-mixed anion silicate chloride from the Cerchiara mine Northern Apennines Italy 263

Neues Jahrbuch fuumlr Mineralogie Monatshefte 2000 373-384 264

Belsky A Hellenbrandt M Karen V L and Luksch P (2002) New developments in the 265

Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

Bond WL (1965) Measurement of the refractive indices of several crystals Journal of Applied 270

Physics 36 1674-1677 271

Burianek M Birkenstock J Mair P Kahlenberg V Medenbach O Shannon RD and 272

Fischer RX (2016) High‑pressure synthesis long‑term stability of single crystals of 273

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

England 932 pp 298

Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

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Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

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Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

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and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

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Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

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Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

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and Solid State Physics Vol 11 Springer-Verlag Berlin 350

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and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

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garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

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40 275-282 356

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(in German) 362

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Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

8

+ 3timesα(Si) + 8timesα(O) = 135 + 0533 + 3 ∙ 0284 + 8 ∙ 179 ∙ 10 = 15724 Aring3 In a 161

classical approach also used by Shannon and Fischer (2006) the mean refractive index can be 162

calculated from the total polarizability using the Lorenz-Lorentz relationship solved for n 163

211

2

2

+minus

sdot=nn

Vb mLLα (2) 164

with the Lorentz factor b = 4π3 Vm = molar volume in Aring3 and n = the mean refractive index 165

In Shannon and Fischer (2016) and thus also here we are using a relationship modified by 166

Anderson (1975) and Eggleton (1991) 167

= (3) 168

with the electronic overlap factor empirically determined to be c = 226 This equation solved for 169

the refractive index n yields 170

= + 1 (4) 171

Using Vm = 18010 Aring3 and the total polarizability calculated above for albite yields the mean 172

refractive index ltngt = 1523 in excellent agreement with the experimentally determined value of 173

1524 (see albite entries in Table S1) 174

175 Results 176

This study lists the database of minerals and synthetic compounds used to calculate the empirical 177

polarizabilities by Shannon and Fischer (2016) Minerals are frequently classified using the 178

Strunz or Dana systems (Mills et al 2009) We have chosen to sort the minerals and synthetics 179

using the Dana classification in Danas New Mineralogy (Gaines et al (1997) and Danarsquos 180

classessubclasses with Borates as an example BoratesClass 24 Anhydrous Borates Class 25 181

9

Anhydrous Borates containing Hydroxyl or Halogen Class 26 Hydrated Borates containing 182

Hydroxl or Halogen and Class 27 Compound Borates 183

Table 2 summarizes information on selected oxide and hydroxide minerals or compounds 184

where with the exceptions of compounds showing steric strain and having edge- face-shared 185

and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 07 186

In column 1 we list the empirical composition of the mineral or synthetic compound In column 187

2 we list the mineral or compound name Column 3 lists the locality of a mineral when known or 188

whether the compound was prepared synthetically Columns 4-13 list nx ny nz ltnDgtobs 189

ltnDgtcalc Δ Vm Van ltαAEgt and reference In column 12 we list the total polarizability of a 190

mineral αAE a useful property that reflects its composition crystal structure and chemistry 191

(Shannon and Fischer 2016) 192

In some cases the cation sums in their respective crystallographic sites did not correspond to the 193

ideal or refined values of the sums of cations found from the structure analysis In many of those 194

minerals (approximately 35 out of the total of ~ 2000 minerals) the cation composition was 195

normalized to agree with the structure analysis identified as ldquonormalizedrdquo in column 5 (ldquoNotesrdquo 196

section) of Table 2 197

Table 3 summarizes the compositions found by chemical analysis and the normalized 198

composition for 6 silicates 5 phosphates 1 arsenate and 2 sulfate minerals Normalized cation 199

compositions generally did not differ by more than 5 from the chemical analytical value 200

Normalization generally improved the fit between α(obs) and α(calc) 201

Table S1 (Supplementary data1) contains the most important information in this work and 202

represents about 20 years of data compilation It summarizes the total data set of minerals and 203

synthetic compounds In column A we list the empirical composition of the mineral or synthetic 204

10

compound In general we preferred to use the empirical composition listed in the formal mineral 205

description eg Na206K095(Y077Dy009Gd 004Er004 Ho002Sm002Nd001Tb001) Si6O15 (moskvinite-206

Y Sokolova et al 2003) Occasionally when the empirical composition was not available we 207

used the composition found in structure analyses although these compositions are sometimes 208

idealized eg Na2KY(Si6O15) (see moskvinite-Y ICSD 97289) 209

In general integral numbers of H2O molecules were used in the compilation and 210

calculations of polarizabilities In some instances non-integral numbers were used In column B 211

we list the ideal mineral composition In column C we list the mineral or compound name In 212

columns D and E we list the Dana categories Column F contains descriptive notes eg structure 213

polytypes sample numbers from Deer Howie and Zussman and other information that helps 214

define a particular mineral sample Column G lists the locality of a mineral when known or 215

whether the compound was prepared synthetically Columns H-S list nx ny nz 216

ltnDgtobsltnDgtcalc Δn deviation () remarks Vm Van and ltαAEgt where Vm = molar volume in 217

Aring3 corresponding to the volume of one formula unit Van = anion molar volume and ltαAEgt is 218

the mean total polarizability calculated from the individual polarizabilities of the ions as 219

described above Columns T-X contain the refractive index reference 220

Figure 3 shows statistical data on the distribution of deviations between observed and 221

calculated refractive indices It clearly demonstrates that the majority of deviations is in the 222

range below 1 for 2377 entries Another 370 entries have deviations below 2 223

224

Implications 225

The comprehensive table presented here provides a set of accurate refractive index 226

composition unit cell volume and locality data for 1800 minerals and 1030 synthetic 227

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

Alfors JT Stinson MC and Matthews RA (1965) Seven new barium minerals from Eastern 247

Fresno County California American Mineralogist 50 314-340 248

Anderson OL (1975) Optical Properties of rock-forming minerals derived from atomic 249

properties Fortschritte der Mineralogie 52 611-629 250

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

Mineralogy Mineralogical Society of America Chantilly VA 20151-1110 USA 254

httpwwwhandbookofmineralogyorg 255

Armbruster T Oberhaumlnsli R and Kunz M (1993) Taikanite BaSr2Mn3+2O2[Si4O12] from the 256

Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

American Mineralogist 78 1088-1095 258

Bailly R (1948) Utilisation des radiations infra-rouge dans les recherche mineralogiques et en 259

particulier pour la determination des mineraux opaques Bulletin societe Francaise de 260

Mineralogie 70 49-145 261

Basso R Lucchetti G Zefiro L and Palenzona A (2000) Cerchiaraite a new natural Ba-262

Mn-mixed anion silicate chloride from the Cerchiara mine Northern Apennines Italy 263

Neues Jahrbuch fuumlr Mineralogie Monatshefte 2000 373-384 264

Belsky A Hellenbrandt M Karen V L and Luksch P (2002) New developments in the 265

Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

Bond WL (1965) Measurement of the refractive indices of several crystals Journal of Applied 270

Physics 36 1674-1677 271

Burianek M Birkenstock J Mair P Kahlenberg V Medenbach O Shannon RD and 272

Fischer RX (2016) High‑pressure synthesis long‑term stability of single crystals of 273

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

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Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

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garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

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Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

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16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

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Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

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Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

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and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

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1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

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frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

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Kimberlite American Mineralogist 53 1853-1839 417

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Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

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(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

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heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

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American Mineralogist 50 1482-1486 441

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Crystal Growth 318 642-644 447

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temperature and wavelength Journal of Applied Physics 82 994-997 449

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Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

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American Mineralogist 47 1292-1302 464

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Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

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931- 970 474

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Magazine 50 267-270 476

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species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

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Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

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and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

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520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

9

Anhydrous Borates containing Hydroxyl or Halogen Class 26 Hydrated Borates containing 182

Hydroxl or Halogen and Class 27 Compound Borates 183

Table 2 summarizes information on selected oxide and hydroxide minerals or compounds 184

where with the exceptions of compounds showing steric strain and having edge- face-shared 185

and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 07 186

In column 1 we list the empirical composition of the mineral or synthetic compound In column 187

2 we list the mineral or compound name Column 3 lists the locality of a mineral when known or 188

whether the compound was prepared synthetically Columns 4-13 list nx ny nz ltnDgtobs 189

ltnDgtcalc Δ Vm Van ltαAEgt and reference In column 12 we list the total polarizability of a 190

mineral αAE a useful property that reflects its composition crystal structure and chemistry 191

(Shannon and Fischer 2016) 192

In some cases the cation sums in their respective crystallographic sites did not correspond to the 193

ideal or refined values of the sums of cations found from the structure analysis In many of those 194

minerals (approximately 35 out of the total of ~ 2000 minerals) the cation composition was 195

normalized to agree with the structure analysis identified as ldquonormalizedrdquo in column 5 (ldquoNotesrdquo 196

section) of Table 2 197

Table 3 summarizes the compositions found by chemical analysis and the normalized 198

composition for 6 silicates 5 phosphates 1 arsenate and 2 sulfate minerals Normalized cation 199

compositions generally did not differ by more than 5 from the chemical analytical value 200

Normalization generally improved the fit between α(obs) and α(calc) 201

Table S1 (Supplementary data1) contains the most important information in this work and 202

represents about 20 years of data compilation It summarizes the total data set of minerals and 203

synthetic compounds In column A we list the empirical composition of the mineral or synthetic 204

10

compound In general we preferred to use the empirical composition listed in the formal mineral 205

description eg Na206K095(Y077Dy009Gd 004Er004 Ho002Sm002Nd001Tb001) Si6O15 (moskvinite-206

Y Sokolova et al 2003) Occasionally when the empirical composition was not available we 207

used the composition found in structure analyses although these compositions are sometimes 208

idealized eg Na2KY(Si6O15) (see moskvinite-Y ICSD 97289) 209

In general integral numbers of H2O molecules were used in the compilation and 210

calculations of polarizabilities In some instances non-integral numbers were used In column B 211

we list the ideal mineral composition In column C we list the mineral or compound name In 212

columns D and E we list the Dana categories Column F contains descriptive notes eg structure 213

polytypes sample numbers from Deer Howie and Zussman and other information that helps 214

define a particular mineral sample Column G lists the locality of a mineral when known or 215

whether the compound was prepared synthetically Columns H-S list nx ny nz 216

ltnDgtobsltnDgtcalc Δn deviation () remarks Vm Van and ltαAEgt where Vm = molar volume in 217

Aring3 corresponding to the volume of one formula unit Van = anion molar volume and ltαAEgt is 218

the mean total polarizability calculated from the individual polarizabilities of the ions as 219

described above Columns T-X contain the refractive index reference 220

Figure 3 shows statistical data on the distribution of deviations between observed and 221

calculated refractive indices It clearly demonstrates that the majority of deviations is in the 222

range below 1 for 2377 entries Another 370 entries have deviations below 2 223

224

Implications 225

The comprehensive table presented here provides a set of accurate refractive index 226

composition unit cell volume and locality data for 1800 minerals and 1030 synthetic 227

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

Alfors JT Stinson MC and Matthews RA (1965) Seven new barium minerals from Eastern 247

Fresno County California American Mineralogist 50 314-340 248

Anderson OL (1975) Optical Properties of rock-forming minerals derived from atomic 249

properties Fortschritte der Mineralogie 52 611-629 250

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

Mineralogy Mineralogical Society of America Chantilly VA 20151-1110 USA 254

httpwwwhandbookofmineralogyorg 255

Armbruster T Oberhaumlnsli R and Kunz M (1993) Taikanite BaSr2Mn3+2O2[Si4O12] from the 256

Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

American Mineralogist 78 1088-1095 258

Bailly R (1948) Utilisation des radiations infra-rouge dans les recherche mineralogiques et en 259

particulier pour la determination des mineraux opaques Bulletin societe Francaise de 260

Mineralogie 70 49-145 261

Basso R Lucchetti G Zefiro L and Palenzona A (2000) Cerchiaraite a new natural Ba-262

Mn-mixed anion silicate chloride from the Cerchiara mine Northern Apennines Italy 263

Neues Jahrbuch fuumlr Mineralogie Monatshefte 2000 373-384 264

Belsky A Hellenbrandt M Karen V L and Luksch P (2002) New developments in the 265

Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

Bond WL (1965) Measurement of the refractive indices of several crystals Journal of Applied 270

Physics 36 1674-1677 271

Burianek M Birkenstock J Mair P Kahlenberg V Medenbach O Shannon RD and 272

Fischer RX (2016) High‑pressure synthesis long‑term stability of single crystals of 273

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

England 932 pp 298

Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

10

compound In general we preferred to use the empirical composition listed in the formal mineral 205

description eg Na206K095(Y077Dy009Gd 004Er004 Ho002Sm002Nd001Tb001) Si6O15 (moskvinite-206

Y Sokolova et al 2003) Occasionally when the empirical composition was not available we 207

used the composition found in structure analyses although these compositions are sometimes 208

idealized eg Na2KY(Si6O15) (see moskvinite-Y ICSD 97289) 209

In general integral numbers of H2O molecules were used in the compilation and 210

calculations of polarizabilities In some instances non-integral numbers were used In column B 211

we list the ideal mineral composition In column C we list the mineral or compound name In 212

columns D and E we list the Dana categories Column F contains descriptive notes eg structure 213

polytypes sample numbers from Deer Howie and Zussman and other information that helps 214

define a particular mineral sample Column G lists the locality of a mineral when known or 215

whether the compound was prepared synthetically Columns H-S list nx ny nz 216

ltnDgtobsltnDgtcalc Δn deviation () remarks Vm Van and ltαAEgt where Vm = molar volume in 217

Aring3 corresponding to the volume of one formula unit Van = anion molar volume and ltαAEgt is 218

the mean total polarizability calculated from the individual polarizabilities of the ions as 219

described above Columns T-X contain the refractive index reference 220

Figure 3 shows statistical data on the distribution of deviations between observed and 221

calculated refractive indices It clearly demonstrates that the majority of deviations is in the 222

range below 1 for 2377 entries Another 370 entries have deviations below 2 223

224

Implications 225

The comprehensive table presented here provides a set of accurate refractive index 226

composition unit cell volume and locality data for 1800 minerals and 1030 synthetic 227

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

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18

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19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

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23 34-37 423

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20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

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Kola Peninsula American Mineralogist 87 1510 439

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Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

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21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

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931- 970 474

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Magazine 50 267-270 476

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species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

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of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

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central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

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from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

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Chemistry of Materials 5 297-304 494

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Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

11

compounds arranged according to Danarsquos classification scheme The table can serve as a primary 228

source of optical data for mineralogists chemists and physicists It thus represents a large 229

database compiled during the last 20 years used to calculate the empirical polarizabilities of 230

cations and anions by regression analyses The scheme of calculating total polarizabilities and 231

hence refractive indices using the Anderson-Eggleton relationship will be a powerful tool to 232

predict refractive indices 233

234

Acknowledgements 235

We thank the Deutsche Forschungsgemeinschaft for financial support under grant 236

FI44221-12 and BL and RTD acknowledge funding from NASA NNX11AP82A Mars Science 237

Laboratory Investigations We gratefully acknowledge Gabriele Ebert for providing hundreds of 238

reprints of mineral literature Frank Hawthorne for advice on minerals and mineralogy 239

especially amphibole mineralogy and mineral classification Elena Sokolova for advice on 240

Russian minerals Ed Grew and Tony Kampf for published and unpublished refractive indices 241

and Manfred Burianek for providing crystals for optical studies One of us RDS gratefully 242

acknowledges the Humboldt Foundation for a Research grant in 1994 which led to this study 243

244

References cited 245

246

Alfors JT Stinson MC and Matthews RA (1965) Seven new barium minerals from Eastern 247

Fresno County California American Mineralogist 50 314-340 248

Anderson OL (1975) Optical Properties of rock-forming minerals derived from atomic 249

properties Fortschritte der Mineralogie 52 611-629 250

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

Mineralogy Mineralogical Society of America Chantilly VA 20151-1110 USA 254

httpwwwhandbookofmineralogyorg 255

Armbruster T Oberhaumlnsli R and Kunz M (1993) Taikanite BaSr2Mn3+2O2[Si4O12] from the 256

Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

American Mineralogist 78 1088-1095 258

Bailly R (1948) Utilisation des radiations infra-rouge dans les recherche mineralogiques et en 259

particulier pour la determination des mineraux opaques Bulletin societe Francaise de 260

Mineralogie 70 49-145 261

Basso R Lucchetti G Zefiro L and Palenzona A (2000) Cerchiaraite a new natural Ba-262

Mn-mixed anion silicate chloride from the Cerchiara mine Northern Apennines Italy 263

Neues Jahrbuch fuumlr Mineralogie Monatshefte 2000 373-384 264

Belsky A Hellenbrandt M Karen V L and Luksch P (2002) New developments in the 265

Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

Bond WL (1965) Measurement of the refractive indices of several crystals Journal of Applied 270

Physics 36 1674-1677 271

Burianek M Birkenstock J Mair P Kahlenberg V Medenbach O Shannon RD and 272

Fischer RX (2016) High‑pressure synthesis long‑term stability of single crystals of 273

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

England 932 pp 298

Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

12

Anderson CJ and Hensley EB (1975) Index of refraction of barium oxide Journal of Applied 251

Physics 46 443 252

Anthony JW Bideaux RA Bladh KW and Nichols MC (2015) Handbook of 253

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Wessels mine South Africa A chain silicate related to synthetic Ca3Mn3+2O2[Si4O12] 257

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Mineralogie 70 49-145 261

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Inorganic Crystal Structure Database (ICSD) accessibility in support of materials research 266

and design Acta Crystallographica B58 364ndash369 267

Bloss FD Gunter M Su S-C and Wolfe HE (1983) Gladstone-Dale constants a new 268

approach CanadianMineralogist 21 93-99 269

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Physics 36 1674-1677 271

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13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

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del 1933 Rendiconti 21 385-392 277

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Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

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silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

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14

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silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

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DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

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501-502 308

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number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

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in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

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Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

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Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

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Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

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Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

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Applied Physics B108 509-514 344

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garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

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40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

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Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

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Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

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Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

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new mineral American Mineralogist 66 218 375

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Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

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18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

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22 392

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titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

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1333-1344 405

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19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

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Mineralogist 56 791-825 419

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20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

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Kola Peninsula American Mineralogist 87 1510 439

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Chemistry 8 410-414 456

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21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

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prediction and interpretation of refractive indices Oxides and oxysalts American 470

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Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

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pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

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central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

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from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

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Chemistry of Materials 5 297-304 494

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Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

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KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

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1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

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439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

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Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

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KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

13

diboron trioxide B2O3 and an empirical electronic polarizability of [3]B3+ Physics and 274

Chemistry of Minerals 43 527-534 275

Carobbi G (1935) Mercallite nuovo minerale fra I prodotti dell attivita fumarolica vesuviana 276

del 1933 Rendiconti 21 385-392 277

Cesbron F and Ginderow D (1985) La sidwillite MoO3 2H2O une nouvel espece mineral de 278

Lake Como Colorado USA Bulletin de Mineralogie 108 813-823 279

Chakhmouradian AR Mitchell RH Burns PC Mikhailova Y and Reguir EP (2008) 280

Marianoite a new member of the cuspidine group from the Prairie Lake silicocarbonatite 281

Ontario Canadian Mineralogist 46 1023-1032 282

Clark AM Fejer EE Couper AG and Jones GC (1984) Sweetite a new mineral from 283

Derbyshire Mineralogical Magazine 48 267-269 284

Clark AM Fejer EE Cressey G and Tandy PC (1988) Ashoverite a new mineral and 285

other polymorphs of Zn(OH)2 from Milltown Ashover Derbyshire Mineralogical 286

Magazine 52 699-702 287

Cook D (1969) Sonolite alleghanyite and leucophoenicite from New Jersey American 288

Mineralogist 54 1392-1398 289

Deer WA Howie RA and Zussman J (1963a) Rock-Forming Minerals vol 2 Chain 290

silicates Longman Green amp Co London England 379 pp 291

Deer WA Howie RA and Zussman J (1963b) Rock-Forming Minerals vol4 Framework 292

silicates Longman Green amp Co London England 435 pp 293

Deer WA Howie RA and Zussman J (1978) Rock-Forming Minerals vol 2A Single chain 294

silicates 2nd edition Halstead Press John Wiley NY 680 pp 295

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

England 932 pp 298

Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

14

Deer WA Howie RA and Zussman J (1982) Rock-Forming Minerals Vol1A 296

Orthosilicates 2nd edition Longman House Burnt Hill Harlow Essex CM20 2JE 297

England 932 pp 298

Deer WA Howie RA and Zussman J (1986) Rock-Forming Minerals Vol1BDi-silicates 299

and ring silicates 2nd edition Longman Group Longman House Burnt Hill Harlow 300

Essex CM20 2JE England 629 pp 301

Deer WA Howie RA and Zussman J (1996) Rock-Forming Minerals vol5B Non-302

silicates SulphatesCarbonates Phosphates Halides Longman Essex CM20 2JE 303

England 392 pp 304

DeWaal SA and Calk LC (1973) Nickel minerals from Barberton South AfricaVI 305

Liebenbergite a nickel olivine American Mineralogist 58 733-735 306

Durrell C (1940) New data on the optical properties of tridymite American Mineralogist 25 307

501-502 308

Eggleton RA (1991) Gladstone-Dale constants for the major elements in silicates coordination 309

number polarizability and the Lorentz-Lorentz relation Canadian Mineralogist 29 525-310

532 311

Elliott P Brugger J Pring A Cole ML Willis AC and Kolitsch U (2008) Birchite a 312

new mineral from Broken Hill New South Wales Australia Description and structure 313

refinement American Mineralogist 93 910-917 314

Ellis WP and Lindstrom RM (1964) Refractive indices of fluoride interference films on 315

thorium dioxide Optica Acta 11 287-294 316

Feklichev VG (1992) Diagnostic Constants of Minerals Advances in Science and Technology 317

in the USSR CRC Press Mir Publishers London 687 pp 318

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

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Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

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Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

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Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

15

Fitzpatrick J and Pabst A (1986) Thalenite from Arizona American Mineralogist 71 188-319

193 320

Flanigen EM Bennett JM Grose RW Cohen JP Patton R L Kirchner R M and 321

Smith JV (1978) Silicalite a new hydrophobic crystalline silica molecular sieve Nature 322

271 512-516 323

Fleischer M Wilcox RE and Matzko JJ Microscopic determination of the nonopaque 324

minerals (1984) USGS Bulletin 1627 453 pp 325

Flint EP McMurdie HF and Wells LS (1941) Hydrothermal and X-ray studies of the 326

garnet-hydrogarnet series and the relationship of the series to hydration products of 327

Portland cement Journal of Research of the National Bureau of Standards 26 13-33 328

Gaines RV Skinner HCW Foord EE Mason B and Rosenzweig A (1997) Danarsquos New 329

Mineralogy The System of Mineralogy of James Dwight Dana and Edward Salisbury 330

Dana 8th edition John Wiley amp Sons NY 1819 pp 331

Gavrish AM Zoz EI Gulko NV and Soloveva AE (1975) Solid solutions in the system 332

HfO2-CeO2 Inorganic Materials 11 668-670 333

Genkin AD and Muraveva IV (1964) Indite and dzalindite new indium minerals American 334

Mineralogist 49 439 335

Greer WLC (1932) Mix-crystals of Ca2SiO4 and Mn2SiO4 American Mineralogist 17 135-336

142 337

Gunter M and Bloss FD (1982) Andalusite-kanonaite series lattice and optical parameters 338

American Mineralogist 67 1218-1228 339

Gunter ME and Ribbe PH (1993) Natrolite group zeolites correlations of optical properties 340

and crystal chemistry Zeolites 13 435-440 341

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

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Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

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Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

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499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

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520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

16

Han X Lahera DE Serrano MD Cascales C and Zaldo C (2012) Ultraviolet to infrared 342

refractive indices of tetragonal double tungstate and double molybdate laser crystals 343

Applied Physics B108 509-514 344

Hellwege KN and Hellwege AM (1962) Landolt-Boumlrnstein Band IITeil 8Optische 345

Konstanten Springer-Verlag Berlin (in German) 346

Hellwege KN and Hellwege AM (1969) Landolt-Boumlrnstein New Series Group III Crystal 347

and Solid State Physics Vol 2 Springer-Verlag Berlin 348

Hellwege KN and Hellwege AM (1979) Landolt-Boumlrnstein New Series Group IIICrystal 349

and Solid State Physics Vol 11 Springer-Verlag Berlin 350

Hellwege KN and Hellwege AM (1981) Landolt-Boumlrnstein New Series Group III Crystal 351

and Solid State Physics Vol 16a Oxides Springer-Verlag Berlin 352

Henmi C Kusachi I and Henmi K (1995) Morimotoite Ca3TiFe2+Si3O12 a new titanian 353

garnet from Fuka Okayama Prefecture Japan Mineralogical Magazine 59 115-120 354

Hiemstra SA (1955) Baddeleyite from Phalaborwa Eastern Transvaal American Mineralogist 355

40 275-282 356

Hill WL Faust GT and Reynolds DS (1944) The binary system P2O5-2CaOP2O5 Part II 357

American Journal of Science 242 542-562 358

Hintze C (1897) Handbuch der Mineralogie Band II Silcate und Titanate Verlag Veit amp Co 359

Leipzig (in German) 360

Hintze C (1915) Handbuch der Mineralogie Band I Abteilung 2 Verlag-Veit amp Co Leipzig 361

(in German) 362

Hintze C (1933) Handbuch der Mineralogie Band I Abteilung 4Walter De Gruyter amp Co 363

Berlin (in German) 364

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

17

Hintze C (1938) Handbuch der Mineralogie Ergaumlnzungsband I Neue Mineralien Walter De 365

Gruyter amp Co Berlin (in German) 366

Hintze C (1960) Handbuch der Mineralogie Ergaumlnzungsband II Neue Mineralien und neue 367

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 368

Hintze C (1968) Handbuch der Mineralogie Ergaumlnzungsband III Neue Mineralien und neue 369

Mineralnamen Walter De Gruyter amp Co Berlin (in German) 370

Iguchi E Matsuda T and Tilley RJD (1984) An estimation of polarizabilities in tungsten 371

trioxide (WO3) Journal of Physics C 17 319-329 372

Keat PP (1954) A new crystalline silica Science 120 328-330 373

Khomyakov AP Kazakova ME and Pushcharovskii DYu (1981) Nacaphite Na2CaPO4F a 374

new mineral American Mineralogist 66 218 375

King BW and Suber LL (1955) Some properties of the oxides of vanadium and their 376 compounds Journal of the American Ceramic Society 38 306-311 377

Larsen ES (1921) The Microscopic Determination of the Nonopaque Minerals United States 378

Geological Survey Bulletin 679 Government Printing Office Washington DC 379

Laubengayer AW and Morton DS (1932) Germanium XXXIX The polymorphism of 380

germanium dioxide Journal of the American Chemical Society 54 2303-2320 381

Lerch W Ashton FW and Bogue RH (1929) The sulfoaluminates of calcium Journal of 382

Research 2 715-731 383

Marcopoulos T and Economou M (1981) Threophrastite Ni(OH)2 a new mineral from 384

northern Greece American Mineralogist 66 1020-1021 385

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

18

Marshukova NK Palovskii AB Sidorenko GA and Christyakova NI (1982) 386

Vismirnovite ZnSn(OH)6 and Natanite FeSn(OH)6 new tin minerals American 387

Mineralogist 67 1077 388

McClune WF (1989) JCPDS 1989 reference Powder Diffraction File 1989 JCPDS-389

International Centre for Diffraction Data Swarthmore PA 390

McConnell D (1964) Refringence of garnets and hydrogarnets Canadian Mineralogist 8 11-391

22 392

McDonald AM and Chao GY (2004) Haineaultite a new hydrated sodium calcium 393

titanosilicate from Mont Saint-Hilaire Quebec description structure determination and 394

genetic implications Canadian Mineralogist 42 769-780 395

Medenbach O and Shannon RD (1997) Refractive indices and optical dispersion of 103 396

synthetic and mineral oxides and silicates measured by a small-prism technique Journal of 397

the Optical Society of America B14 3299-3318 398

Mills SJ Hatert F Nickel EH and Ferraris G (2009) The standardisation of mineral group 399

hierarchies application to recent nomenclature proposals European Journal of Mineralogy 400

21 1073ndash1080 401

Miura H Suzaki H and Kikuchi T (1994) Synthesis and properties of the system Al2(SO4)3-402

Fe2(SO4)3 Mineralogical Journal 17 42-45 403

Moore PB (1972) Natrophilite NaMn(PO4) has ordered cations American Mineralogist 57 404

1333-1344 405

Moore PB and Smith JV (1968) Wickmanite MnSn(OH)6 a new mineral from Langban 406

American Mineralogist 53 1063 407

NBS Circular 539 (1955-1960) Standard X-ray Diffraction Patterns 408

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

19

NBS Monograph Series 25 (1962-1981) Standard X-ray Diffraction Patterns- Sections 1-15 409

Nefedov EI Griffin WL and Kristiansen R (1977) Minerals of the schoenfliesite-410

wickmanite series from Pitkaumlranta Karelia USSR Canadian Mineralogist 15 437-445 411

Nelson DF (1996) Landolt-Boumlrnstein New Series Group III Condensed Matter Vol 30 High 412

frequency properties of dielectric crystals Springer-Verlag Berlin 413

Nesse WD (2013) Introduction to Optical Mineralogy 2nd Edition Oxford University Press 414

NY Oxford 415

Nixon PH and Hornung G (1968) A new chromium garnet end member knorringite from 416

Kimberlite American Mineralogist 53 1853-1839 417

Novak GA and Gibbs G V (1971) The crystal chemistry of the silicate garnets American 418

Mineralogist 56 791-825 419

Orlandi P Pasero M and Vezzalini G (1998) Scandiobabingtonite a new mineral from the 420

Baveno pegmatite Piedmont Italy American Mineralogist 83 1330-1334 421

Palache C (1938) Leightonite a new sulphate of Copper from Chile American Mineralogist 422

23 34-37 423

Palache C H Berman and C Frondel (1944) Danarsquos system of mineralogy 424 425

(7th edition) v I Elements sulfides sulfosalts oxides 834 pp 426 427 Palache C H Berman and C Frondel (1951) Danarsquos system of mineralogy 428 429

(7th edition) v II 1124 pp 430 431 Palache C H Berman and C Frondel (1962) Danarsquos system of mineralogy 432

433 (7th edition) v III Silica minerals 334 pp 434

Palmer JL and Gunter ME (2000) Optical properties of natural and cation-exchanged 435

heulandite group zeolites American Mineralogist 85 225-230 436

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

20

Pekov IV Chukanov NV Turchkova AG and Grishin VG (2002) Ferronordite-(La) 437

Na3Sr(La Ce)FeSi6O17 a new mineral of the nordite group from the Lovozero massif 438

Kola Peninsula American Mineralogist 87 1510 439

Peters T (1965) A water-bearing andradite from the Totalp Serpentine Davos Switzerland 440

American Mineralogist 50 1482-1486 441

Posnjak E and Merwin HE (1919) The hydrated ferric oxides American Journal of Science 442

47 311-347 443

Pynchon GE and Sieckmann EF (1966) Refractive index of strontium oxide Physical 444

Review 143 595-597 445

Qin F and Li RK (2011) Predicting refractive indices of the borate optical crystals Journal of 446

Crystal Growth 318 642-644 447

Rams J Tejeda A and Cabrera JM (1997) Refractive indices of rutile as a function of 448

temperature and wavelength Journal of Applied Physics 82 994-997 449

Ringwood AE (1977) Synthesis of pyrope-knorringite solid solution series Earth and Planetary 450

Science Letters 36 443-448 451

Roy R and McKinstry HA (1953) Concerning the so-called Y(OH)3-type structure and the 452

structure of La(OH)3 Acta Crystallographica 6 365-366 453

Ruchkin ED Sokolova M N and Batsanov SS (1967) Optical properties of oxides of the 454

rare earth elements V Study of monoclinic modifications (B-forms) Journal of Structural 455

Chemistry 8 410-414 456

Sahama TG Lehtinen M and Rehtijaumlrvi P (1973) Natural boehmite single crystals from 457

Ceylon Contributions of Mineralogy and Petrology 39 171-174 458

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

21

Schmetzer K Horn W and Medenbach O (1981) Uber Kobaltkoritnigit (CoZn) 459

[H2O][AsO3OH] ein neues Mineral und Pitticit FeO3 As2O5 9-10H2O ein 460

roumlntgenamorphes Fe-Arsenat-Hydrat Neues Jahrbuch fuumlr Mineralogie Monatshefte 1981 461

257-266 462

Sclar CB Carrison LC and Schwartz CM (1962) Optical crystallography of coesite 463

American Mineralogist 47 1292-1302 464

Selkregg KR and Bloss FD (1980) Cordierites compositional controls of Δ cell parameters 465

and optical properties American Mineralogist 65 522-533 466

Shannon RD and Fischer RX (2006) Empirical electronic polarizabilities in oxides 467

hydroxides oxyfluorides and oxychlorides Physical Review B73 2351111-28 468

Shannon RD and Fischer RX (2016) Empirical electronic polarizabilities of ions for the 469

prediction and interpretation of refractive indices Oxides and oxysalts American 470

Mineralogist 101 2288-2300 471

Shannon RD Shannon RC Medenbach O and Fischer RX (2002) Refractive index and 472

dispersion of fluorides and oxides Journal of Physical and Chemical Reference Data 31 473

931- 970 474

Shigley JE Kampf AR and Rossman GR (1986) New data on painite Mineralogical 475

Magazine 50 267-270 476

Simmons WB Pezzotta F Falster AU and Webber KL (2001) Londonite a new mineral 477

species the Cs-dominant analogue of rhodizite from the Antandrokomby granitic 478

pegmatite Madagascar Canadian Mineralogist 39 747-755 479

Sokolova E Hawthorne FC Agakhanov AA and Pautov LA (2003) The crystal structure 480

of moskvinite-(Y) Na2K(YREE)[Si6O15] a new silicate mineral with [Si6O15] three-481

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

22

membered double rings from the Dara-I-Pioz moraine Tien-Shan mountains Tajikistan 482

Canadian Mineralogist 41 513-520 483

Sonnet PM (1981) Burtite calcium hexahydroxostannate a new mineral from El Hamman 484

central Morocco Canadian Mineralogist 19 397-401 485

Strunz H Soehnge G and Geier BH (1958) Stottite ein neues Germanium- mineral and 486

seine Paragenese in Tsumeb Neues Jahrbuch Mineralogie Monatshefte 1958 85-96 487

Sturman BD and Mandarino JA and Corlett MI (1977) Marićite a sodium iron phosphate 488

from the Big Fish River area Yukon Territory Canada Canadian Mineralogist 15 396-489

398 490

Swanson HE Morris MC Evans EH and Ulmer L (1962-1981) Standard X-ray 491

Diffraction Patterns NBS Monograph 25 Sections 1-15 492

Thiel JP Chiang CK and Poeppelmeier KR Structure of LiAl2(OH)7 2H2O (1993) 493

Chemistry of Materials 5 297-304 494

Tilley CE (1933) Portlandite a new mineral from Scawt Hill County Antrim Mineralogical 495

Magazine 23 419-420 496

Togari K and Akasaka M (1987) Okhotskite a new mineral an Mn3+-dominant member of 497

the pumpellyite group from the Kokuriki mine Hokkaido Japan Mineralogical 498

Magazine 51 611-614 499

Trojer F (1963) Die oxydischen Kristallphasen der anorganischen Industrieprodukte E 500

Schweizerbartsche Verlagsbuchhandlung Stuttgart 375 pp 501

Vergasova LP Filatov SK Seraphimova EK and Varaksina TV (1990) Kamachatkite 502

KCu3OCl(SO4)2 ndash A new mineral from volcanic sublimates American 503

Mineralogist 75 1210 504

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

23

Voloshin AV Pakhomovskii YA Rogatschev DL Nadezhina TN Pustscharovskii DY 505

and Bahkchisaraytsev AY (1991) Clinobehoite-A new natural modification of Be(OH)2 from 506

desilicated pegmatites American Mineralogist 76 666-667 507

Washburn EW (1930) Ed International Critical Tables of Numerical Data Physics Chemistry 508

and Technology National Research Council ndash USA McGraw-Hill Book Co New York 509

499 pp 510

Weber MJ (1986) CRC Handbook of Laser Science and Technology Volume V Optical 511

Materials Part 3 Applications Coatings and Fabrication CRC Press Boca Raton 512

520pp 513

Weber MJ (1995 ) CRC Handbook of Laser Science and Technology Supplement 2 Optical 514

Materials CRC Press Boca Raton 833 pp 515

Webmineral (2015) httpwwwwebmineralcom 516

Williams PA Leverett P Sharpe JL and Colchester DM (2005) Elsmoreite cubic WO3 517

05H2O a new mineral species from Elsmore New South Wales Australia Canadian 518

Mineralogist 43 1061-1064 519

Williams SA (1985) Mopungite a new mineral from Nevada American Mineralogist 70 520

1330 521

Winchell AN (1931) The Microscopic Characters of Artificial Inorganic Solid Substances or 522

Artificial Minerals 2nd edition JWiley New York 403 pp 523

Winchell AN and Winchell H (1964) The Microscopical Characters of Artificial Inorganic 524

Solid Substances Optical Properties of Artificial Minerals Academic Press New York 525

439 pp 526

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

24

Wise WS (1975) Solid solution between the alunite woodhouseite and trandallite mineral 527

series Neues Jahrbuch fuumlr Mineralogie Monatshefte 1975 540-545 528

Zadov AE Gazeev VM Karimova OV Pertsev NN Pekov IV Galuskin EV 529

Galuskina IO Gurbanov AG Belakovsky DI Borisovsky SE Kartashov PM 530

Ivanova AG and Yakubovich OV (2011) Magnesioneptunite 531

KNa2Li(MgFe)2Ti2Si8O24 a new mineral species of the neptunite group Geology of Ore 532

Deposits 53 775-782 533

534

535

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

25

Figure captions 536

537

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 538

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 539

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 540

541

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 542

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 543

544

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 545

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 546

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 547

column of Table S1 548

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

26

Table 1 Refractive index compilations 549

Refractive-index sources Information provided Reference

Danarsquos New Mineralogy The System of Mineralogy

of James Dwight Dana and Edward Salisbury Dana

RI uc location [no specific composition

uc or reference]

Gaines et al (1997) Danarsquos New Mineralogy

Empirical electronic polarizabilities in oxides

hydroxides oxyfluorides and oxychlorides

RI composition uc references Shannon and Fischer (2006) minerals and

synthetics

Empirical electronic polarizabilities of ions for the

prediction and interpretation of refractive indices

RI composition uc references Shannon and Fischer (2016) minerals and

synthetics

Handbook of Mineralogy RI uc composition location references Anthony (2015) Handbook of Mineralogy

wwwhandbookofmineralogyorg

Handbook of Optical Materials RI composition references [uc from ICSD

or JCPDS ]

Weber CRC Handbook of Laser Science and

Technology (1986 1995) synthetics

International Critical Tables of Numerical Data

Physics Chemistry and Technology

RI references [uc from ICSD or JCPDS ] Washburn (1930) International Critical Tables

of Numerical Data Physics Chemistry and

Technology ndashsynthetics and minerals

Landolt-Boumlrnstein RI references [no uc or mineral location] Hellwege KN and Hellwege AM (1962-

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

27

1981) Landolt-Boumlrnstein

Microscopic Characters of Artificial Inorganic Solid

Substances or Artificial Minerals

RI composition symmetry [uc from ICSD

or JCPDS ]

Winchell (1931) Winchell and Winchell

(1964) synthetics

Mineralogy Database RI composition uc location[no specific

composition uc or reference]

Mineralogy Database Webmineralcom

NBS Circular and Monograph Series synthetics - RI composition uc NBS Circular 539 (1955-1960) Standard X-ray

Diffraction Patterns Monograph Series 25

(1962-1981) Standard X-ray Diffraction

Patterns- Sections 1-15

Oxydischen Kristallphasen der anorganischen

Industrieproduckte

synthetics and minerals- RIuc references Trojer ndash Die oxydischen Kristallphasen der

anorganischen Industrieprodukte (1963)

Refractive index and dispersion of fluorides and

oxides

RI composition uc references Shannon and Fischer (2002) minerals and

synthetics

Rock-Forming Minerals minerals RI composition location

references [no uc]

Deer Howie and Zussman (1963-1996)

System of Mineralogy RI composition uc locations [no specific Palache Berman and Frondel (1944

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

28

composition uc or reference] 19521962) Danarsquos system of mineralogy

minerals

USGS Bulletin 1627 RI [no composition or location] Fleischer et al (1984) USGS Bulletin 1627

Notes RI = refractive index uc = unit cell 550

551

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

29

Table 2 Information on selected oxide and hydroxide minerals or compounds where with the exceptions of compounds showing 552 steric strain and having edge- face-shared and corner-shared octahedra the mean deviation Δ = ((ltnDgtobs - ltnDgtcalc) ltnDgtobs) = 553 07 554

Measured chemical formula

Compound name

Locality nx ny nz ltnDgt ltnDgt calc

Δ [] Vm Vox ltαAEgt Reference

H2O ice 13091 13091 13105 13096 1300 04 3258 3258 1648 Shannon et al (2002)

Cu2O cuprite 2849 2849 2849 2849 2856 -02 3884 3884 10513 Palache et al (1944)

BeO bromellite Synthetic 17184 17184 17342 17237 1726 -01 1379 1379 1661 Shannon et al (2002)

MgO periclase Synthetic 17355 17355 17355 17355 1719 09 1867 1867 2284 Shannon et al (2002)

CaO lime Synthetic 18396 18396 18396 18396 1745 50a 2783 2783 3865 Shannon et al (2002)

SrO Synthetic 1871 1871 1871 1871 1786 45a 3316 3316 4768 Pynchon and Sieckmann (1966)

BaO Synthetic 19841 19841 19841 19841 1764 111a 4248 4248 6843 Anderson and Hensley (1975)

ZnO zincite Synthetic 20222 20222 20256 20233 1862 80a 2355 2355 3931 Bond (1965) HgO montroydite Terlingua

Texas 237 25 265 25067 2551 -18 3213 3213 7459 Palache et al

(1944) B2O3 Synthetic 1653 1653 1632 1646 1636 06 4526 1509 4877 Burianek et al

(2016) Al2O3 corundum 17673 17673 17598 17648 1776 -06 4245 1415 5393 Shannon et al

(2002) Fe198Fe002O3 hematite Elba Island

Livorno Tuscany Italy

319 319 2912 30973 2620 155b 5032 1677 14839 Shannon et al (2002)

Sc2O3 Synthetic 19943 19943 19943 19943 1965 15 5964 1988 9698 Shannon et al (2002)

Y2O3 Synthetic 19311 19311 19311 19311 1858 38b 745 2483 11403 Shannon et al (2002)

Eu2O3 Synthetic 1969 1969 1969 1969 1970 00 8005 2668 12713 Shannon et al (2002)

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

30

Gd2O3 Synthetic 1977 1977 1977 1977 1964 06 7901 2634 12643 Ruchkin et al (1967)

Dy2O3 Synthetic 19757 19757 19757 19757 1959 08 7586 2529 12124 Shannon et al (2002)

Ho2O3 Synthetic 1963 1963 1963 1963 1995 04 7457 2486 11775 Ruchkin et al (1967)

Er2O3 Synthetic 1959 1959 1959 1959 1954 03 7333 2444 11535 Shannon et al (2002)

Tm2O3 Synthetic 1951 1951 1951 1951 1943 04 7207 2402 11249 Ruchkin et al (1967)

Yb2O3 Synthetic 19468 19468 19468 19468 1934 06 7098 2366 11034 Shannon et al (2002)

Lu2O3 Synthetic 19349 19349 19349 19349 1935 00 701 2337 1077 Shannon et al (2002)

SiO2 coesite Synthetic 1594 15955 1599 15962 1598 -01 3417 1708 3401 Sclar et al (1962)

SiO2 cristobalite 1487 1487 1484 1486 1496 -07 4233 2116 3433 Gaines et al (1997)

SiO2 quartz Zambia 15444 15444 15535 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Para Brazil 15444 15444 15533 15474 1550 -02 3766 1883 3442 Shannon et al (2002)

SiO2 quartz Synthetic 15442 15442 15533 15472 1550 -02 3766 1883 3441 Shannon et al (2002)

SiO2 stishovite Synthetic 1799 1799 1826 1808 1800 04 2325 1162 3114 Anthony et al (2016)

SiO2 tridymite Plumas County California

1478 1479 1481 14793 1486 -04 434 217 3471 Durrell (1940)

SiO2 SiO2-keatite Synthetic 1522 1522 1513 1519 1521 -02 4002 2001 3468 Keat (1954) SiO2 silicalite Synthetic 139 139 139 139 1391 -01 5527 2763 3586 Flanigen et al

(1978) TiO2 anatase Binnental

Switzerland 25621 25621 24889 25377 2561 -09 3407 1703 8038 Shannon et al

(2002) TiO2 anatase Binnental

Switzerland 25608 25608 24879 25365 2561 -10 3407 1703 8033 Shannon et al

(2002) TiO2 brookite Virgental

Tyrol Austria 2585 2584 2702 26237 2667 -16 323 161 7947 Shannon et al

(2002) TiO2 rutile Synthetic 26098 26098 28976 27057 2741 -13 3121 1561 7968 Rams et al

(1997)

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

31

Zr094Hf002 Ca002Ti002O2 baddeleyite Phaloaborwa South Africa

2136 2236 2243 2205 2247 -19 3522 1761 6796 Hiemstra (1955)

Zr0671Y0329 O1835 Synthetic 20691 20691 20691 20691 2137 -33d 3446 1878 5984 Shannon et al (2002)

Zr0869Y0131 O1934 Synthetic 21581 21581 21581 21581 2229 -33d 3386 1751 6312 Shannon et al (2002)

GeO2 Synthetic 1695 1695 1735 17083 1720 -07 405 2025 4776 Laubengayer and Morton (1932)

GeO2 Synthetic 196 196 2048 19893 2017 -14 2762 1381 4471 Shannon et al (2002)

SnO2 cassiterite Araca Bolivia 20004 20004 20971 20326 2040 -04 3577 1787 602 Hellwege and Hellwege (1962)

HfO2 Synthetic 206 21 214 21 2115 -07 3455 1727 6154 Gavrish et al (1975)

Hf085Y015 O1925 Synthetic 20881 20881 20881 20881 2106 -09 339 1761 598 Shannon et al (2002)

CeO2 Synthetic 2425 2425 2425 2425 2765 -140a 3971 1986 8818 Gavrish et al (1975)

P2O5 Synthetic 1545 1578 1589 15707 1573 -02 8184 1637 7798 Hill et al (1944)

V2O5 shcherbi-naite

Synthetic 289 21 255 25133 2000 203c 8952 179 20856 King and Suber (1955)

MoO3 middot 2H2O sidwillite Lake Como Colorado

17 221 238 20967 1734 193c 9594 1919 17044 Cesbron and Ginderow (1985)

WO3 Synthetic 2703 2376 2282 24537 1946 207c 5286 1762 11927 Iguchi et al (1984)

WO3 middot H2O tungstite Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Hellwege and Hellwege (1962)

WO2(OH)2 tungstite Wolframocker Salmo British Columbia Canada

209 224 226 21967 1820 171c 7215 1803 13838 Larsen (1921)

WO3 middot 05H2O hydro-kenoels-moreite

Elsmore New South Wales Australia

224 224 224 224 1826 185c 6638 1897 13127 Williams et al (2005)

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

32

CaZr091Ti006Hf003BAl9O18

painite Mogok Township Pyin-Oo-Lwin district Mandalay division Myanmar

18159 18159 17875 18064 1799 04 2786 1548 37274 Shigley et al (1986)

Ca4Al2SO4 (OH)12 middot 6H2O

kuzelite Zeilberg Quarry Maroldsweisach Franconia Bavaria Germany

1504 1504 1488 14987 1499 -01 2565 2331 2135 Lerch et al (1929)

ThO2 Synthetic 2105 2105 2105 2105 2078 13 439 2195 7851 Ellis and Lindstrom (1964)

LiOH Synthetic 14639 14639 14518 14599 1458 01 2744 2744 2105 Shannon et al (2002)

LiAl2(OH)7 middot 2H2O Synthetic 1545 1545 1555 15483 1547 01 16981 1886 15548 Thiel et al (1993)

NaSb(OH)6 mopungite Mopung Hills Nevada

1614 1614 1605 1611 1635 -15 12555 2092 12804 Williams (1985)

Be(OH)2 clinobehoite Murzinkha region Ural Mts Russia

1539 1544 1548 15437 1536 05 3722 1861 3379 Voloshin et al (1991)

Mg(OH)2 brucite Wood Mine Lancaster Pennsylvania

15665 15665 15853 15728 1565 05 409 2045 3911 Shannon et al (2002)

Mg094Mn0126Sn097(OH)6 schoen-fliesite

Pitkaranta Republic of Karelia Russia

1667 1667 1667 1667 1660 04 11773 1962 13091 Nefedov et al (1977)

Ca(OH)2 portlandite Scawt Hill Antrim County Northern Ireland

1575 1575 1547 15657 1558 05 5478 2739 5174 Tilley (1933)

Ca098Mg002Sn(OH)6 burtite El Hamman Morocco

1633 1633 1633 1633 1644 -06 13415 2235 14168 Sonnet (1981)

Ca3Al2(OH)12 katoite Synthetic 1605 1605 1605 1605 1599 03 24797 2066 25042 Flint et al (1941)

Ca3Fe2(OH)12 hydro- Synthetic 1724 1724 1724 1724 1735 -06 260 2167 31323 McConnell

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

33

andradite (1964) Mn(OH)2 pyrochroite Langban

Sweden 1723 1723 1681 1709 1706 02 4524 2262 534 Palache et al

(1944) Mn095Mg003Ca002Sn(OH)6

wickmanite 1705 1705 1705 1705 1701 03 122 2033 14322 Moore and Smith (1968)

Fe105Mn001 Ge095(OH)6 stottite Tsumeb Namibia

1738 1738 1731 17357 1731 02 1065 1775 13031 Strunz et al (1958)

FeSn(OH)6 natanite 1755 1755 1755 1755 1766 -06 11369 1895 14264 Marshukova et al (1982)

Ni(OH)2 theophrastite Vermion Greece

1759 1759 1759 1759 1750 05 3928 1964 4954 Marcopoulos and Economou (1981)

Zn(OH)2 ashoverite Ashover Derbyshire England

1629 1629 1639 16323 1616 10 4856 2428 5123 Clark et al (1988)

Zn(OH)2 sweetite Derbyshire England

1635 1635 1628 16327 1617 10 4847 2424 5116 Clark et al (1984)

AlO(OH) bohmite Ratnapura gem gravel Sri Lanka

1648 1657 1668 16577 1661 -02 3232 1616 3544 Sahama et al (1973)

Al099Fe3+001 (OH)3 gibbsite Chester or

Richmond Massachusetts

1568 1568 1587 15743 1571 02 5306 1768 5088 Larsen (1921)

CrO(OH) grimaldiite Merume River Guyana

2155 2155 1975 2095 2107 -07 3425 1712 6076 Milton et al (1976)

Mn3+O(OH) manganite Thuringia Germany

226 226 254 23533 2321 14 3327 1664 7082 Larsen (1921)

Fe3+O(OH) goethite Restormel Royal Iron Mines Lanlivery Cornwall England UK

2275 2409 2415 23663 2267 42b 3465 1733 7434 Bailly (1948)

Fe3+O(OH) goethite Negaunee Michigan

226 239 24 235 2267 35b 3465 1733 7361 Posjnak and Merwin (1919)

Fe3+O(OH) lepidocrocite Easton Pennsylvania

1938 22 2515 22177 2169 22 3734 1867 727 Posjnak and Merwin (1919)

In086Fe014 (OH)3 dzhalindite Synthetic 1725 1725 1725 1725 1720 03 628 2093 7576 Genkin and Muraveva

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

34

(1964) La(OH)3 174 174 1768 17493 1753 -02 7153 2384 891 Roy and

McKinstry (1953)

Notes a = sterically strained compounds with strong bond-valence deviations b = compounds with edge- and face-sharing MO6 555

octahedra (M = Fe3+ Mn3+ Ti4+ V5+ Mo6+ and W6+ c = compounds with corner-sharing octahedral d = oxide ion conductivity 556

557

558

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

35

Table 3 Chemical compositions from chemical analyses and the corresponding normalized composition for 6 silicates 5 phosphates 559 1 arsenate and 2 sulfate minerals 560

Mineral and location

Not normalized Normalized Reference

SILICATES ferronordite-La

(Na292Ca008)(Sr099Ba002)Σ101(La057Ce041Pr005Nd004)Σ107 Fe043Mn029 Zn023Mg006(Si592Al002)Σ594O17

(Na292Ca008)(Sr099Ba001)Σ10(La053Ce038Pr005Nd004)Σ10(Fe043 Mn029 Zn023Mg006)(Si592Al008)Σ60O17

Pekov et al (2002)

Lovozero massif Russia scandio-babingtonite

(Ca171Na025)Σ196(Fe065Mn032)Σ097(Sc091Sn004Fe3+003)Σ098

Si5O14(OH) (Ca174Na026)Σ20(Fe067Mn033)Σ10(Sc093Sn004Fe3+

003)Σ10Si5O14(OH) Orlandi et al (1998)

Montecatini Granite Quarry Baveno Novara Italy marianoite (Ca40Mn004)Σ404(Na193)(Nb097Zr090Ti009Fe008Mg003)Σ207

Si4O1693F107 (Ca396Mn004)Σ40(Na193)(Nb093Zr086Ti009Fe008Mg003)Σ199Si4O1693 F107

Chakhmoura-dian et al (2008)

Prairie Lake Ontario Canada krauskopfite (Ba103K001Ca001)Σ105Si195O495 308H2O (Ba098Ca002)Σ10Si2O5 3H2O Alfors et al

(1965)Rush Creek area Mono County California okhotskite (Ca191Na004)Σ195(Mn069Mg028)Σ097(Mn3+

113Al047Fe3+040

Ti0005)Si303 O993(OH)407 (Ca195Na005)Σ20(Mn071Mg029)Σ10(Mn3+

113Al047Fe3+040Ti0005)

Si3O993 (OH)407 Togari and Akasaka (1987)

Kokuriki mineHokkaido Japan magnesio-neptunite

(K067Na032Ca0016)(Na206)(Li)(Mg139Fe071)Σ21(Ti203)Σ203 (Si79Al002)Σ792O24

(K067Na032Ca0016)(Na2)(Li)(Mg132Fe067)Σ199(Ti2)Σ20(Si799Al001)Σ80 O24

Zadov et al (2011)

Upper Chegem caldera near MtLakargiNo Caucasus Russia PHOSPHATES natrophilite (Na093Li002)Σ095Mn093Fe007PO395(OH)005 (Na096Li004)Σ10Mn093Fe007PO395(OH)005 Moore(1972)Brancheville Conn maricite (Na091)Σ091(Fe089Mn007Mg003)Σ099P102O4 (Na)Σ10(Fe090Mn007Mg003)Σ10PO4 Sturman et al

(1977)Big Fish River area Yukon Territory Canada nacaphite Na199(Ca094Sr001Mn001)Σ096PO397F097 Na2(Ca096Sr002Mn002)Σ10PO4F Khomyakov et

al (1981)Mt Rasvumchorr Khibina massif Russia woodhouseite (Ca073Sr004Ba017Na001)Σ095Al299[P0106S097O4](OH)6 (Ca076Sr004Ba019Na001)Σ10Al299[P0106S097O4](OH)6 Wise (1975)White Mountains CA birchite (Cu194Zn010)Σ204(Cd209Ca002Mn002)Σ213P207S088O12 5H2O (Cu190Zn010)Σ20(Cd196Ca002Mn002)Σ20P207S088O12 5H2O Elliott (2008)Broken Hill New So Wales Australia

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

36

ARSENATES cobalt-korignite

(Co068Zn024Cu002Fe001Ni001)Σ096AsO3OH H2O (Co071Zn025Cu002Fe001Ni001)Σ10AsO3OH H2O Schmetzer et al (1981)

Saxony Erzgebirge Germany SULFATES leightonite (K192Na012)Σ204Ca2Cu[SO4]4 2H2O (K192Na008)Σ20Ca2Cu[SO4]4 2H2O Palache (1938)Chuquicamata Chile kamchatkite K(Cu292Zn004)Σ296(SO4)2O104Cl084 K(Cu292Zn008)Σ30(SO4)2OCl Vergasova et al

(1990)Tolbachik volcano Russia 561

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

37

562

563

Figure 1 Refractive indices of pyrope-knorringite solid solutions Mg3(Al1-xCrx)2Si3O12 Lattice 564

parameter of knorringite from Novak and Gibbs (1971) a = 1164 Aring (α(Al) = 047 Aring3 α(Cr) = 565

302 Aring3) the line is calculated from polarizabilities points are from Ringwood (1977) 566

567

568

569

570

571

572

573

574

575

576

577

168

170

172

174

176

178

180

182

184

186

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

38

578

579

Figure 2 Refractive indices of tephroite-γ- Ca2SiO4 series (MnxCa1-x)2SiO4 (Greer 1932) 580

(α(Ca) = 179 Aring3 α(Mn) = 207 Aring3) 581

582

164

166

168

170

172

174

176

178

180

182

00 02 04 06 08 10

refra

ctiv

e in

dice

s

x

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()

39

583

584

585

Figure 3 Frequency of occurrence of absolute values of deviations between observed and 586

calculated refractive indices ∙ 100 in Table S1 (supplementary data1) in the range 587

from 0 to 3 excluding entries with systematic deviations as indicated in the remarks 588

column of Table S1 589

590

591

1525

852

301

68 27 20

200

400

600

800

1000

1200

1400

1600

1800

00-05 05-10 10-15 15-20 20-25 25-30

Freq

uenc

y of o

ccur

renc

e

deviations ()