Crystallography Open Database

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Searching space group like 'I -1'

COD ID: 1001402
CIF file	Formula: - Ba La Ni O6 Ru - Comments: Battle, P D; Gibb, T C; Jones, C W; Studer, F Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~ Journal of Solid State Chemistry 78 (1989) 281-293 Space group: I -1 Cell volume: 248 Cell parameters: 5.5964; 5.5879; 7.9319; 89.803; 90.1; 90.09;

COD ID: 1008195
CIF file	Formula: - O11 Ti6 - Comments: le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry 44 (1982) 273-281 Space group: I -1 Cell volume: 716 Cell parameters: 5.552; 7.126; 32.233; 66.94; 57.08; 108.51;

COD ID: 1008196
CIF file	Formula: - O13 Ti7 - Comments: le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry 44 (1982) 273-281 Space group: I -1 Cell volume: 841.4 Cell parameters: 5.537; 7.132; 38.151; 66.7; 57.12; 108.5;

COD ID: 1008197
CIF file	Formula: - O15 Ti8 - Comments: le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry 44 (1982) 273-281 Space group: I -1 Cell volume: 966.9 Cell parameters: 5.526; 7.133; 44.059; 66.54; 57.18; 108.51;

COD ID: 1008198
CIF file	Formula: - O17 Ti9 - Comments: le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry 44 (1982) 273-281 Space group: I -1 Cell volume: 1094.7 Cell parameters: 5.524; 7.142; 50.03; 66.41; 57.2; 108.53;

COD ID: 1510959

CIF file

Formula: - B3.7 Ba3.68 Ca0.66 F Gd0.34 K0.12 O28 Pb0.2 Si8.3 Y -
Comments: Sokolova, E.V.; Pautov, L.A.; Ferraris, G.; Ivaldi, G.; Khvorov, P.V. Crystal structure of kapitsaite-(Y), a new borosilicate isotypic with hyalotekite - Crystal chemistry of the related isomorphous series Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 2000 (2000) 74-84
Space group: I -1
Cell volume: 1243.63
Cell parameters: 11.181; 10.85; 10.252; 90.64; 90.05; 89.97;

COD ID: 1511020
CIF file	Formula: - B Cd Li O3 - Comments: Sokolova, E.V.; Belov, N.V.; Boronikhin, V.A.; Simonov, M.A. The crystal structure of triclinic Li Cd B O3 Doklady Akademii Nauk SSSR 246 (1979) 1126-1129 Space group: I -1 Cell volume: 263.728 Cell parameters: 6.118; 8.486; 5.257; 91.46; 89.64; 104.85;

COD ID: 1528489

CIF file

Formula: - Li Na0.54 O6 Ru3 -
Comments: Foo, M.L.; Zandbergen, H.W.; Huang, Q.; He, T.; Lawes, G.; Cava, R.J.; Siegrist, T.; Ramirez, A.P. Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K) Journal of Solid State Chemistry 179 (2006) 941-948
Space group: I -1
Cell volume: 847.567
Cell parameters: 9.3775; 16.2522; 5.56143; 90.3955; 89.869; 90.034;

COD ID: 1528490

CIF file

Formula: - Li Na0.5 O6 Ru3 -
Comments: Foo, M.L.; He, T.; Zandbergen, H.W.; Ramirez, A.P.; Huang, Q.; Lawes, G.; Siegrist, T.; Cava, R.J. Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K) Journal of Solid State Chemistry 179 (2006) 941-948
Space group: I -1
Cell volume: 999.765
Cell parameters: 9.3665; 19.2324; 5.5501; 90.436; 89.869; 90.025;

COD ID: 1534851
CIF file	Formula: - Ba2 La O6 Ru - Comments: Battle, P.D.; Goodenough, J.B.; Price, R. The crystal structures and magnetic properties of Ba2 La Ru O6 and Ca2 La Ru O6 Journal of Solid State Chemistry 46 (1983) 234-244 Space group: I -1 Cell volume: 311.883 Cell parameters: 6.0299; 6.0587; 8.5371; 89.86; 90.33; 90.03;

COD ID: 1536770
CIF file	Formula: - Fe H6 N O8 P2 - Comments: Yakubovich, O.V. Crystal structure of (N H4) Fe (H P O4)2 Kristallografiya 38 (1993) 43-48 Space group: I -1 Cell volume: 995.951 Cell parameters: 9.838; 7.185; 14.159; 93.46; 85.58; 89.47;

COD ID: 1538495
CIF file	Formula: - Cl4 F Nb - Comments: Preiss, H. Die Kristallstruktur von Nb Cl4 F Zeitschrift fuer Anorganische und Allgemeine Chemie 362 (1968) 13-18 Space group: I -1 Cell volume: 1295.72 Cell parameters: 12.01; 13.36; 8.13; 95; 92.7; 93.2;

COD ID: 1556970

CIF file

Formula: - As0.5 Fe H0.5 O4.5 S0.5 -
Comments: Paktunc, D.; Majzlan, J.; Palatinus, L.; Dutrizac, J.; Klementova, M.; Poirier, G. Characterization of ferric arsenate-sulfate compounds: Implications for arsenic control in refractory gold processing residues American Mineralogist 98 (2013) 554-565
Space group: I -1
Cell volume: 346.433
Cell parameters: 5.1639; 5.1863; 12.9457; 89.209; 89.675; 87.892;

COD ID: 1559086

CIF file

Formula: - C11 H12 Cl2 -
Comments: Søtofte, Inger; Crossland, Ingolf The Crystal Structures of 2-Phenyl-3,3-dimethyl-1,1-dichlorocyclopropane (I), 2-p-Chlorophenyl-3,3-dimethyl-1,1-dichlorocyclopropane (II) and 2-p-Chlorophenyl-3,3-dimethyl-1,1-dimethoxycyclopropane (III) Acta Chemica Scandinavica 46 (1992) 131-137
Space group: I -1
Cell volume: 1022.7
Cell parameters: 12.268; 6.774; 12.408; 90.7; 97.31; 89.66;

COD ID: 1570099
CIF file	Formula: - C14 H11 F5 - Comments: Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl Single-crystal quality data from polycrystalline samples: finding the needle in the haystack. IUCrJ 10(6) (2023) Space group: I -1 Cell volume: 1239.51 Cell parameters: 10.2296; 8.7819; 14.6776; 106.811; 80.111; 97.168;

COD ID: 2019269
CIF file Original IUCr paper	Formula: - C6 H9 Cl N2 O2 - Comments: Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D. Enantiotropically related polymorphs of gaboxadol hydrochloride Acta Crystallographica Section C 69(11) (2013) 1234-1237 Space group: I -1 Cell volume: 1522.87 Cell parameters: 13.6018; 6.6783; 17.0168; 89.683; 92.077; 99.652;

COD ID: 2103956
CIF file Original IUCr paper	Formula: - Al3 F19 Pb5 - Comments: Abrahams, S. C.; Ravez, J.; Ritter, H.; Ihringer, J. Structure‒property correlation over five phases and four transitions in Pb~5~Al~3~F~19~ Acta Crystallographica Section B 59(5) (2003) 557-574 Space group: I -1 Cell volume: 1473.35 Cell parameters: 14.2624; 14.2808; 7.234; 90.001; 90.509; 90.001;

COD ID: 2108233

CIF file

HKL data

Original IUCr paper

Formula: - Al1.67 Ca0.67 Na0.33 O8 Si2.33 -
Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the I{øverline 1} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018)
Space group: I -1
Cell volume: 1333.97
Cell parameters: 8.1618; 12.8632; 14.1898; 93.5211; 116.117; 90.5754;

COD ID: 2108234

COD ID: 2108235

Formula: - Al1.66 Ca0.66 Na0.34 O8 Si2.34 -
Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the I{øverline 1} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018)
Space group: I -1
Cell volume: 1334.41
Cell parameters: 8.1635; 12.8615; 14.1936; 93.5104; 116.124; 90.5297;

COD ID: 2108236

COD ID: 2108237

Formula: - Al1.75 Ca0.75 Na0.25 O8 Si2.25 -
Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the I{øverline 1} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018)
Space group: I -1
Cell volume: 1334.35
Cell parameters: 8.1652; 12.8633; 14.1832; 93.4685; 116.073; 90.73;

COD ID: 2108238

COD ID: 2108239

COD ID: 2108240

COD ID: 2108241

COD ID: 2108242

Formula: - Al1.75 Ca0.75 Na0.25 O8 Si2.25 -
Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the I{øverline 1} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018)
Space group: I -1
Cell volume: 1335.14
Cell parameters: 8.1662; 12.868; 14.1927; 93.4772; 116.143; 90.6664;

COD ID: 2108243

CIF file

HKL data

Original IUCr paper

Formula: - Al1.75 Ca0.75 Na0.25 O8 Si2.25 -
Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the I{øverline 1} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018)
Space group: I -1
Cell volume: 1336.58
Cell parameters: 8.172; 12.8675; 14.189; 93.4437; 116.073; 90.649;

COD ID: 2108244

CIF file

HKL data

Original IUCr paper

Formula: - Al1.6 Ca0.6 Na0.4 O8 Si2.4 -
Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the I{øverline 1} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018)
Space group: I -1
Cell volume: 1334.33
Cell parameters: 8.1602; 12.8612; 14.1975; 93.5348; 116.118; 90.4334;

COD ID: 4001302
CIF file	Formula: - Mg Mo O6 Sr2 - Comments: Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction Chemistry of Materials 19(5) (2007) 1035 Space group: I -1 Cell volume: 245.373 Cell parameters: 5.566661; 5.566118; 7.919158; 89.9907; 89.9723; 89.9962;

COD ID: 4001304
CIF file	Formula: - Mg Mo O6 Sr2 - Comments: Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction Chemistry of Materials 19(5) (2007) 1035 Space group: I -1 Cell volume: 245.819 Cell parameters: 5.56906; 5.57039; 7.92407; 89.978; 90.01; 90.015;

COD ID: 4001305
CIF file	Formula: - Mg0.5 Mo0.5 O3 Sr - Comments: Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction Chemistry of Materials 19(5) (2007) 1035 Space group: I -1 Cell volume: 245.808 Cell parameters: 5.569801; 5.569576; 7.923807; 89.9878; 89.9992; 90.0048;

COD ID: 4001307
CIF file	Formula: - Mg Mo O5.97 Sr2 - Comments: Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction Chemistry of Materials 19(5) (2007) 1035 Space group: I -1 Cell volume: 246.22 Cell parameters: 5.572983; 5.5775; 7.92131; 89.9397; 90.0234; 89.9524;

COD ID: 4001312
CIF file	Formula: - Mg0.5 Mo0.5 O3 Sr - Comments: Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction Chemistry of Materials 19(5) (2007) 1035 Space group: I -1 Cell volume: 246.135 Cell parameters: 5.571514; 5.57772; 7.92034; 89.8921; 89.987; 89.923;

COD ID: 4002376
CIF file	Formula: - Ba2 Mo Nd O6 - Comments: Cussen, E.J.; Lynham, D.R.; Rogers, J. Magnetic order arising from structural distortion: structure and magnetic properties of Ba2 Ln Mo O6 Chemistry of Materials (1,1989-) 18 (2006) 2855-2866 Space group: I -1 Cell volume: 307.285 Cell parameters: 5.9764; 5.9795; 8.5988; 89.86; 90.041; 90.013;

COD ID: 4002463

CIF file

Formula: - La N O2 Ti -
Comments: Clarke, S.J.; Guinot, B.P.; Michie, C.W.; Rosseinsky, M.J.; Calmont, M.J.C. Oxynitride perovskites: synthesis and structures of La Zr O2 N, Nd Ti O2 N and La Ti O2 N and comparison with oxide perovskites Chemistry of Materials (1,1989-) 14 (2002) 288-294
Space group: I -1
Cell volume: 246.193
Cell parameters: 5.6097; 7.8719; 5.5752; 90.199; 90.154; 89.988;

COD ID: 7024189

CIF file

Formula: - D6 Fe N O8 P2 -
Comments: Alfonso, Belén F; Blanco, Jesús A; Fernández-Díaz, Maria Teresa; Trobajo, Camino; Khainakov, Sergei A.; García, José R On the crystal structure and thermal decomposition of ammonium-iron(III) bis(hydrogenphosphate). Dalton transactions (Cambridge, England : 2003) 39(7) (2010) 1791-1796
Space group: I -1
Cell volume: 983.13
Cell parameters: 9.79196; 7.11846; 14.17371; 93.4228; 85.5686; 89.3939;

COD ID: 7205350

CIF file

Formula: - C46 H36 Br4 Cl2 Co S32 -
Comments: Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N. Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2) CrystEngComm 13(5) (2011) 1467
Space group: I -1
Cell volume: 6971
Cell parameters: 9.406; 9.986; 74.231; 88.87; 89.52; 90.14;

COD ID: 7218671

CIF file

Formula: - C46 H36 Br4 Cl2 Mn S32 -
Comments: Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N. Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers CrystEngComm 16(43) (2014) 10103
Space group: I -1
Cell volume: 6979
Cell parameters: 9.401; 9.981; 74.39; 91.03; 89.57; 89.71;

COD ID: 7241744

CIF file

Formula: - C46 H37 Cd Cl I4 S32 -
Comments: Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N. Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling CrystEngComm 22(46) (2020) 8054-8062
Space group: I -1
Cell volume: 7052.6
Cell parameters: 9.5531; 9.7052; 76.0688; 89.884; 89.917; 89.798;

COD ID: 7243462

CIF file

Formula: - C46 H36 Br4 Cl2 S32 Zn -
Comments: Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm 23(37) (2021) 6620-6625
Space group: I -1
Cell volume: 7025.8
Cell parameters: 9.478; 9.9772; 74.311; 91.03; 90.423; 90.136;

COD ID: 7243463

CIF file

Formula: - C46 H36 Br4 Cl2 S32 Zn -
Comments: Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm 23(37) (2021) 6620-6625
Space group: I -1
Cell volume: 6878.9
Cell parameters: 9.31052; 9.9603; 74.2011; 91.3016; 90.4551; 90.3631;

COD ID: 7243464

CIF file

Formula: - C46 H36 Br4 Cl2 S32 Zn -
Comments: Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm 23(37) (2021) 6620-6625
Space group: I -1
Cell volume: 6958
Cell parameters: 9.38534; 9.99249; 74.2113; 91.1767; 90.4551; 90.1829;

COD ID: 7243465

CIF file

Formula: - C46 H36 Br4 Cl2 S32 Zn -
Comments: Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm 23(37) (2021) 6620-6625
Space group: I -1
Cell volume: 6834.9
Cell parameters: 9.28488; 9.9294; 74.1606; 91.2956; 90.4755; 90.4013;

COD ID: 7243466

CIF file

Formula: - C46 H36 Br4 Cl2 S32 Zn -
Comments: Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm 23(37) (2021) 6620-6625
Space group: I -1
Cell volume: 6935.6
Cell parameters: 9.3549; 9.9886; 74.2441; 91.25; 90.478; 90.243;

COD ID: 8103723
CIF file	Formula: - Al1.3325 Ca3 Fe0.6675 O12 Si3 - Comments: Takeuchi, Y.; Umizu, S.; Haga, N.; Sato, G. The derivate structure of silicate garnets in grandite Zeitschrift fuer Kristallographie (149,1979-) 158 (1982) 53-99 Space group: I -1 Cell volume: 1693.96 Cell parameters: 11.9197; 11.9225; 11.9199; 90.03; 90.12; 89.98;

COD ID: 8104344
CIF file	Formula: - Al1.86 Ca0.85 Na0.14 O8 Si2.14 - Comments: Chiari, G.; Benna, P.; Bruno, E. The structure of bytownite (An85). A new refinement. Zeitschrift fuer Kristallographie (149,1979-) 169 (1984) 35-49 Space group: I -1 Cell volume: 1341.63 Cell parameters: 8.188; 12.882; 14.196; 93.37; 116.04; 90.87;

COD ID: 9000606

CIF file

Formula: - Ca0.36 Mn0.64 O3 Si -
Comments: Ohashi, Y.; Finger, L. W. The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample Mn-BS, from Mitsuka, Gifu, Japan American Mineralogist 63 (1978) 274-288
Space group: I -1
Cell volume: 718.832
Cell parameters: 9.807; 10.68; 7.091; 99.58; 99.99; 83.79;

COD ID: 9000607

CIF file

Formula: - Ca3.11 Mn2.89 O18 Si6 -
Comments: Ohashi, Y.; Finger, L. W. The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample BS, from Hijikuzu, Iwate, Japan American Mineralogist 63 (1978) 274-288
Space group: I -1
Cell volume: 736.123
Cell parameters: 9.864; 10.79; 7.139; 99.53; 99.71; 83.83;

COD ID: 9000608

CIF file

Formula: - Ca4.88 Mn1.12 O18 Si6 -
Comments: Ohashi, Y.; Finger, L. W. The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample Ca-BS, from Hijikuzu, Iwate, Japan American Mineralogist 63 (1978) 274-288
Space group: I -1
Cell volume: 764.303
Cell parameters: 9.994; 10.946; 7.231; 99.3; 100.56; 83.29;

COD ID: 9000793
CIF file	Formula: - Ca0.92 H4 Mg0.05 Mn4.03 O17 Si5 - Comments: Ohashi Y; Finger L W The crystal structure of santaclaraite, CaMn4[Si5O14(OH)](OH)H2O: The role of hydrogen atoms in the pyroxenoid structure American Mineralogist 66 (1981) 154-168 Space group: I -1 Cell volume: 1320.67 Cell parameters*: 10.273; 11.91; 12.001; 105.77; 110.64; 87.13;

COD ID: 9000861
CIF file	Formula: - B2 Ba2.838 Be0.38 Ca2 F O28 Pb1.162 Si9.62 - Comments: Moore, P. B.; Araki, T.; Ghose, S. Hyalotekite, a complex lead borosilicate: Its crystal structure and the lone-pair effect of Pb(II) American Mineralogist 67 (1982) 1012-1020 Space group: I -1 Cell volume: 1278.25 Cell parameters: 11.31; 10.955; 10.317; 90.43; 90.02; 90.16;

COD ID: 9001124
CIF file	Formula: - Al7.02 Ca9.9 Fe3.08 O48 Si12 - Comments: Allen, F. M.; Buseck, P. R. XRD, FTIR, and TEM studies of optically anisotropic grossular garnets Sample: before heating Note: Data was obtained from the ICSD American Mineralogist 73 (1988) 568-584 Space group: I -1 Cell volume: 1663.87 Cell parameters: 11.845; 11.858; 11.846; 90; 90; 90;

COD ID: 9001125
CIF file	Formula: - Al1.78 Ca2.475 Fe0.745 O12 Si3 - Comments: Allen, F. M.; Buseck, P. R. XRD, FTIR, and TEM studies of optically anisotropic grossular garnets Sample: after heating Note: Data was obtained from the ICSD American Mineralogist 73 (1988) 568-584 Space group: I -1 Cell volume: 1658.82 Cell parameters: 11.837; 11.84; 11.836; 90.01; 89.98; 90;

COD ID: 9001171
CIF file	Formula: - Al Ca O4 Si - Comments: Angel, R. J. High-pressure structure of anorthite Sample: P = 1 bar American Mineralogist 73 (1988) 1114-1119 Space group: I -1 Cell volume: 1337.8 Cell parameters: 8.175; 12.873; 14.17; 93.11; 115.89; 91.28;

COD ID: 9001172
CIF file	Formula: - Al Ca O4 Si - Comments: Angel, R. J. High-pressure structure of anorthite Sample: P = 25 kbar American Mineralogist 73 (1988) 1114-1119 Space group: I -1 Cell volume: 1300.27 Cell parameters: 8.082; 12.767; 14.032; 92.79; 115.77; 91.68;

COD ID: 9001173
CIF file	Formula: - Al2 Ca O8 Si2 - Comments: Angel, R. J. High-pressure structure of anorthite Sample: P = 31 kbar American Mineralogist 73 (1988) 1114-1119 Space group: I -1 Cell volume: 1290.52 Cell parameters: 8.042; 12.748; 13.964; 92.2; 115.27; 92.65;

COD ID: 9001253
CIF file	Formula: - Ca3 Fe1.885 O12 Si3 - Comments: Kingma, K. J.; Downs, J. W. Crystal-structure analysis of a birefringent andradite American Mineralogist 74 (1989) 1307-1316 Space group: I -1 Cell volume: 1748.82 Cell parameters: 12.048; 12.048; 12.048; 90; 90; 90;

COD ID: 9001260
CIF file	Formula: - Al Ca O4 Si - Comments: Angel, R. J.; Carpenter, M. A.; Finger, L. W. Structural variation associated with compositional variation and order-disorder behavior in anorthite-rich feldspars sample from Monte Somma American Mineralogist 75 (1990) 150-162 Space group: I -1 Cell volume: 1338.99 Cell parameters: 8.1796; 12.8747; 14.172; 93.134; 115.885; 91.236;

COD ID: 9001261
CIF file	Formula: - Al Ca O4 Si - Comments: Angel, R. J.; Carpenter, M. A.; Finger, L. W. Structural variation associated with compositional variation and order-disorder behavior in anorthite-rich feldspars sample #115082a American Mineralogist 75 (1990) 150-162 Space group: I -1 Cell volume: 1337.6 Cell parameters: 8.178; 12.87; 14.175; 93.17; 115.97; 91.15;

COD ID: 9002634
CIF file	Formula: - Al0.538 Ca3 Cr1.462 O12 Si3 - Comments: Wildner, M.; Andrut, M. The crystal chemistry of birefringent natural uvarovites: Part II. Single-crystal X-ray structures Sample: Sar-k12 American Mineralogist 86 (2001) 1231-1251 Space group: I -1 Cell volume: 1712.92 Cell parameters: 11.965; 11.965; 11.965; 90; 90.14; 90.01;

COD ID: 9002636
CIF file	Formula: - Al0.939 Ca3 Cr1.061 O12 Si3 - Comments: Wildner, M.; Andrut, M. The crystal chemistry of birefringent natural uvarovites: Part II. Single-crystal X-ray structures Sample: Ska-1 American Mineralogist 86 (2001) 1231-1251 Space group: I -1 Cell volume: 1696.08 Cell parameters: 11.925; 11.926; 11.926; 90.04; 90.1; 90.04;

COD ID: 9003088
CIF file	Formula: - Al2 Ca0.2 O8 Si2 Sr0.8 - Comments: Benna, P.; Bruno, E. Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 20 C American Mineralogist 88 (2003) 1532-1541 Space group: I -1 Cell volume: 1395.01 Cell parameters: 8.361; 12.973; 14.259; 90.79; 115.55; 90.62;

COD ID: 9003089
CIF file	Formula: - Al2 Ca0.2 O8 Si2 Sr0.8 - Comments: Benna, P.; Bruno, E. Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 200 C American Mineralogist 88 (2003) 1532-1541 Space group: I -1 Cell volume: 1396.72 Cell parameters: 8.367; 12.968; 14.266; 90.68; 115.51; 90.54;

COD ID: 9003090
CIF file	Formula: - Al2 Ca0.2 O8 Si2 Sr0.8 - Comments: Benna, P.; Bruno, E. Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 400 C American Mineralogist 88 (2003) 1532-1541 Space group: I -1 Cell volume: 1400 Cell parameters: 8.377; 12.971; 14.275; 90.46; 115.49; 90.3;

COD ID: 9003091
CIF file	Formula: - Al2 Ca0.2 O8 Si2 Sr0.8 - Comments: Benna, P.; Bruno, E. Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 500 C American Mineralogist 88 (2003) 1532-1541 Space group: I -1 Cell volume: 1400.85 Cell parameters: 8.379; 12.971; 14.278; 90.11; 115.48; 90.06;

COD ID: 9009246
CIF file	Formula: - Al H3 O3 - Comments: Saalfeld, H.; Jarchow, O. Die Kristallstruktur von Nordstrandit, Al(OH)3 Neues Jahrbuch fur Mineralogie, Abhandlungen 109 (1968) 185-191 Space group: I -1 Cell volume: 424.962 Cell parameters: 8.752; 5.069; 10.244; 109.33; 97.66; 88.34;

COD ID: 9010018

CIF file

Formula: - Ca0.92 H4 Mg0.05 Mn4.03 O17 Si5 -
Comments: Ohashi, Y.; Finger, L. W. The crystal structure of santaclaraite, CaMn4[Si5O14(OH)](OH)*H2O: The role of hydrogen atoms in the pyroxenoid structure Note: gamma angle revised according to Am Min 66 (1981) 1281 American Mineralogist 66 (1981) 154-168
Space group: I -1
Cell volume: 1317.06
Cell parameters: 10.273; 11.91; 12.001; 105.77; 110.64; 89.13;

COD ID: 9010286

CIF file

Formula: - Al2 Ca0.2 O8 Si2 Sr0.8 -
Comments: Benna, P.; Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Lundegaard, L. F.; Bruno, E. The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: The I-1-I2/c and I2/c-P2_1/c phase transitions Sample: P = 0.0001 GPa American Mineralogist 92 (2007) 1190-1199
Space group: I -1
Cell volume: 1396.34
Cell parameters: 8.37; 12.967; 14.262; 90.58; 115.55; 90.44;

COD ID: 9010287

CIF file

Formula: - Al2 Ca0.2 O8 Si2 Sr0.8 -
Comments: Benna, P.; Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Lundegaard, L. F.; Bruno, E. The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: The I-1-I2/c and I2/c-P2_1/c phase transitions Sample: P = 3.2 GPa American Mineralogist 92 (2007) 1190-1199
Space group: I -1
Cell volume: 1349.14
Cell parameters: 8.256; 12.842; 14.088; 90.51; 115.38; 90.88;

COD ID: 9011200

CIF file

Formula: - Al0.92 Ca0.43 Na0.07 O4 Si1.08 -
Comments: Facchinelli, A.; Bruno, E.; Chiari, G. The structure of bytownite quenched from 1723 K Locality: satellite dyke, Traversella stock, Sesia Lanzo zone, Western Alps, Italy Sample: non-split model Note: T and O anisoB's from ICSD Acta Crystallographica, Section B 35(1) (1979) 34-42
Space group: I -1
Cell volume: 1341.96
Cell parameters: 8.183; 12.883; 14.186; 93.38; 115.87; 90.82;

COD ID: 9011765

CIF file

Formula: - B3.7 Ba3.68 Ca0.66 Dy0.08 Er0.06 F Gd0.08 K0.12 Nd0.06 O28 Pb0.2 Si8.3 Sm0.06 Y -
Comments: Sokolova, E. V.; Ferraris, G.; Ivaldi, G.; Pautov, L. A.; Khvorov, P. V. Crystal structure of kapitsaite-(Y), a new borosilicate isotypic with hyalotekite - Crystal chemistry of the related isomorphous series Garmskii district, Northern Tajikistan Neues Jahrbuch fur Mineralogie, Monatshefte 2000 (2000) 74-84
Space group: I -1
Cell volume: 1243.63
Cell parameters: 11.181; 10.85; 10.252; 90.64; 90.05; 89.97;

COD ID: 9014532
CIF file	Formula: - Al1.04 H3.2 O6 W0.96 - Comments: Grey, I. E.; Madsen, I. C.; Mills, S. J.; Hatert, F.; Peterson, V. K.; Bastow, T. J. A new type of cubic-stacked layer structure in anthoinite, AlWO3(OH)3 American Mineralogist 95 (2010) 639-645 Space group: I -1 Cell volume: 848.844 Cell parameters: 8.196; 9.187; 11.316; 92.82; 94.08; 90.23;

COD ID: 9014779

CIF file

Formula: - As1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2 -
Comments: Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Bryzgalov, I. A.; Zadov, A. E.; Chukanov, N. V. New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: I. Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group European Journal of Mineralogy 24 (2012) 913-922
Space group: I -1
Cell volume: 1004.8
Cell parameters: 7.1; 7.125; 19.955; 92.406; 94.924; 90.42;

COD ID: 9016764
CIF file	Formula: - Al Ca0.5 O4 Si - Comments: Angel, R. J. High-pressure structure of anorthite Sample: P = 1 bar American Mineralogist 73 (1988) 1114-1119 Space group: I -1 Cell volume: 1337.8 Cell parameters: 8.175; 12.873; 14.17; 93.11; 115.89; 91.28;

COD ID: 9016765
CIF file	Formula: - Al Ca0.5 O4 Si - Comments: Angel, R. J. High-pressure structure of anorthite Sample: P = 25 kbar American Mineralogist 73 (1988) 1114-1119 Space group: I -1 Cell volume: 1300.27 Cell parameters: 8.082; 12.767; 14.032; 92.79; 115.77; 91.68;

COD ID: 9017365
CIF file	Formula: - Al3.71 Ca1.72 Na0.28 O16 Si4.29 - Comments: Chiari, G.; Benna, P.; Bruno, E. The structure of bytownite (An85). A new refinement Zeitschrift fur Kristallographie 169 (1984) 35-49 Space group: I -1 Cell volume: 1335.38 Cell parameters: 8.188; 12.822; 14.196; 93.37; 116.04; 90.87;

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