Crystallography Open Database

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Searching space group like 'A 1 2/a 1'

COD ID: 1001691
CIF file	Formula: - Bi1.916 Cu O5.482 Sr1.84 - Comments: Leligny, H; Durcok, S; Labbe, P; Ledesert, M; Raveau, B X-ray investigation of the incommensurate modulated structure of Bi2.08 Sr1.84 Cu O6-d Acta Crystallographica B (39,1983-) 48 (1992) 407-418 Space group: A 1 2/a 1 Cell volume: 711.7 Cell parameters: 5.3791; 5.3811; 24.58899; 90; 89.93; 90;

COD ID: 1521693

CIF file

Formula: - D K3 O8 Se2 -
Comments: Onoda-Yamamuro, N.; Yamamuro, O.; Matsuo, T.; Ichikawa, M.; Ibberson, R.M.; David, W.I.F. Neutron diffraction study on hydrogen bond structure in K3 H (Se O4)2 and K3 D (Se O4)2 crystals Journal of Physics: Condensed Matter 12 (2000) 8559-8565
Space group: A 1 2/a 1
Cell volume: 855.141
Cell parameters: 10.08029; 5.87311; 14.86206; 90; 103.617; 90;

COD ID: 1523828
CIF file	Formula: - Ca O5 Si Sn - Comments: Higgins, J.B.; Ross, F.K. The crystal structure of malayaite: Ca Sn O Si O4 Crystal Structure Communications 6 (1977) 179-182 Space group: A 1 2/a 1 Cell volume: 389.57 Cell parameters: 7.149; 8.906; 6.667; 90; 113.4; 90;

COD ID: 1524950

CIF file

Formula: - Al Ca Fe4.1 H2 K Mn9.9 Na4 O50 P12 -
Comments: Moore, P.B.; Araki, T.; Merlino, S.; Zanazzi, P.F.; Mellini, M. The arrojadite - dickinsonite series, K Na4 Ca (Fe, Mn)14 Al (O H)2 (P O4)12: crystal structure and crystal chemistry American Mineralogist 66 (1981) 1034-1049
Space group: A 1 2/a 1
Cell volume: 4069.43
Cell parameters: 24.94; 10.131; 16.7219; 90; 105.6; 90;

COD ID: 1524951
CIF file	Formula: - Al Ca F2 Fe10 K Mn3 Na5 O48 P12 - Comments: Moore, P.B.; Zanazzi, P.F.; Araki, T.; Merlino, S.; Mellini, M. The Arrojdite - Dickinsonite series, K Na4 Ca (Fe, Mn)14 Al (O H)2 (P O4)12: crystal structure and crystal chemistry American Mineralogist 66 (1981) 1034-1049 Space group: A 1 2/a 1 Cell volume: 3922.91 Cell parameters: 24.693; 10.031; 16.453; 90; 105.72; 90;

COD ID: 1524952

CIF file

Formula: - Al Ca F Fe8.5 H K Mn4.5 Na5 O49 P12 -
Comments: Moore, P.B.; Araki, T.; Zanazzi, P.F.; Merlino, S.; Mellini, M. The arrojadite - dickinsonite series, K Na4 Ca (Fe, Mn)14 Al (O H)2 (P O4)12: crystal structure and crystal chemistry American Mineralogist 66 (1981) 1034-1049
Space group: A 1 2/a 1
Cell volume: 3955.27
Cell parameters: 24.73; 10.057; 16.526; 90; 105.78; 90;

COD ID: 1530027
CIF file	Formula: - C2 H10 Mg1.2 Mn0.4 O16 Zn5.4 - Comments: Grice, J.D.; Dunn, P.J. Sclarite, a new mineral from Franklin, New Jersey, with essential octahedrally and tetrahedrally coordinated zinc: Description and structure refinement American Mineralogist 74 (1989) 1355-1359 Space group: A 1 2/a 1 Cell volume: 1310.19 Cell parameters: 16.11; 5.432; 15.041; 90; 95.49; 90;

COD ID: 1531366
CIF file	Formula: - Ca O5 Si Sn - Comments: Eremin, N.N.; Urusov, V.S.; Rusakov, V.S.; Yakubovich, O.V. Precision X-ray diffraction and Moessbauer studies and computer simulation of the structure and properties of malayaite Ca Sn O Si O4 Kristallografiya 47 (2002) 825-833 Space group: A 1 2/a 1 Cell volume: 389.033 Cell parameters: 7.152; 8.888; 6.667; 90; 113.37; 90;

COD ID: 1535242
CIF file	Formula: - Cs3 H O8 Se2 - Comments: Merinov, B.V.; Bolotina, N.B.; Baranov, A.I.; Shuvalov, L.A. Crystal structure of ferroelastic phase II of Cs3H(SeO4)2 Kristallografiya 36 (1991) 1131-1134 Space group: A 1 2/a 1 Cell volume: 1109.45 Cell parameters: 11.037; 6.415; 16.062; 90; 102.69; 90;

COD ID: 1536749

CIF file

Formula: - Mo2 Na1.9 Ni1.05 O8 -
Comments: Klevtsova, R.F.; Borisov, S.V.; Bliznyuk, N.A.; Glinskaya, L.A.; Klevtsov, P.V. Crystal structures of double molybdates Na4Cu(MoO4)3 and Na2Ni(MoO4)2 - new members of the alluodite family Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 32 (1991) 127-136
Space group: A 1 2/a 1
Cell volume: 1107.29
Cell parameters: 7.086; 13.348; 12.613; 90; 111.85; 90;

COD ID: 1537148
CIF file	Formula: - Ba Li2 O7 P2 - Comments: Kutoglu, A.; Allmann, R.; Nikolov, V.; Petrov, K. The crystal structure of Li2 Ba P2 O7 Private Communication 2003 (2003) 1-1 Space group: A 1 2/a 1 Cell volume: 1195.06 Cell parameters: 13.865; 12.163; 7.087; 90; 90.7; 90;

COD ID: 1542151
CIF file	Formula: - Fe0.48 Mn0.16 O7 Ti2.88 Zn0.4 - Comments: Nikolaeva, L.E.; Belov, N.V. Crystal Structure of Landauite Doklady Akademii Nauk SSSR 190 (1970) 1098-1100 Space group: A 1 2/a 1 Cell volume: 437.744 Cell parameters: 5.225; 8.955; 9.783; 90; 107; 90;

COD ID: 1551105
CIF file	Formula: - D0.25 K1.25 O4 S - Comments: Francois Fillaux; Alain Cousson Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition Journal of Chemical Physics 137 (2012) 074504 Space group: A 1 2/a 1 Cell volume: 792.89 Cell parameters: 9.777; 5.674; 14.667; 90; 102.97; 90;

COD ID: 1551106
CIF file	Formula: - D K3 O8 S2 - Comments: Francois Fillaux; Alain Cousson Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition Journal of Chemical Physics 137 (2012) 074504 Space group: A 1 2/a 1 Cell volume: 795.49 Cell parameters: 9.7776; 5.681; 14.7008; 90; 103.051; 90;

COD ID: 1551107
CIF file	Formula: - H K3 O8 S2 - Comments: Francois Fillaux; Alain Cousson Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition Journal of Chemical Physics 137 (2012) 074504 Space group: A 1 2/a 1 Cell volume: 774.26 Cell parameters: 9.6996; 5.6344; 14.5241; 90; 102.728; 90;

COD ID: 1551108
CIF file	Formula: - H K3 O8 S2 - Comments: Francois Fillaux; Alain Cousson Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition Journal of Chemical Physics 137 (2012) 074504 Space group: A 1 2/a 1 Cell volume: 774.54 Cell parameters: 9.7038; 5.6385; 14.5256; 90; 102.953; 90;

COD ID: 1551109
CIF file	Formula: - H K3 O8 S2 - Comments: Francois Fillaux; Alain Cousson Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition Journal of Chemical Physics 137 (2012) 074504 Space group: A 1 2/a 1 Cell volume: 799.12 Cell parameters: 9.8061; 5.6869; 14.7024; 90; 102.926; 90;

COD ID: 1566639
CIF file	Formula: - D2 O - Comments: Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure and ordering of ices III and V The Journal of Chemical Physics 112 (2000) 7169 Space group: A 1 2/a 1 Cell volume: 664.24 Cell parameters: 9.0926; 7.5409; 10.2547; 90; 109.144; 90;

COD ID: 1567272
CIF file	Formula: - D2 O - Comments: Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L. Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition The Journal of Chemical Physics 154 (2021) 134504 Space group: A 1 2/a 1 Cell volume: 672.728 Cell parameters: 9.19256; 7.52147; 10.31017; 90; 109.317; 90;

COD ID: 2000154

CIF file

Original IUCr paper

Formula: - C22 H26 N4 O2 P2 S4 -
Comments: Wang, J.-L.; Sun, M.; Miao, F. M.; Chen, Q.-J.; Jin, S.-J. Structure of 6,13-bis(butylthio)-5,12-dioxa-6,13-dithioxo-6a,7,13a,14-tetraaza-6,13-diphosphadibenz[a,h]anthracene Acta Crystallographica Section C 47(12) (1991) 2676-2677
Space group: A 1 2/a 1
Cell volume: 2615.6
Cell parameters: 14.941; 7.05; 24.832; 90; 90.48; 90;

COD ID: 2000581
CIF file Original IUCr paper	Formula: - H K3 O8 Se2 - Comments: Ichikawa, M.; Sato, S.; Komukae, M.; Osaka, T. Structure of ferroelastic K~3~H(SeO~4~)~2~ Acta Crystallographica Section C 48(9) (1992) 1569-1571 Space group: A 1 2/a 1 Cell volume: 869.44 Cell parameters: 10.1291; 5.9038; 14.961; 90; 103.64; 90;

COD ID: 2000609
CIF file Original IUCr paper	Formula: - C12 H22 Cu I N4 - Comments: Bao, X.; Holt, E. M. Structure of the condensation product formed by pyrrolidine, acetonitrile and copper(I) iodide Acta Crystallographica Section C 48(9) (1992) 1655-1657 Space group: A 1 2/a 1 Cell volume: 1618.3 Cell parameters: 16.149; 7.205; 15.358; 90; 115.09; 90;

COD ID: 2000941
CIF file Original IUCr paper	Formula: - D O8 Rb3 Se2 - Comments: Ichikawa, M.; Gustafsson, T.; Olovsson, I. Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K Acta Crystallographica Section C 48(4) (1992) 603-607 Space group: A 1 2/a 1 Cell volume: 958.4 Cell parameters: 10.4775; 6.0856; 15.4206; 90; 102.919; 90;

COD ID: 2000942
CIF file Original IUCr paper	Formula: - D O8 Rb3 Se2 - Comments: Ichikawa, M.; Gustafsson, T.; Olovsson, I. Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K Acta Crystallographica Section C 48(4) (1992) 603-607 Space group: A 1 2/a 1 Cell volume: 939.9 Cell parameters: 10.4019; 6.049; 15.3206; 90; 102.827; 90;

COD ID: 2000943
CIF file Original IUCr paper	Formula: - D O8 Rb3 Se2 - Comments: Ichikawa, M.; Gustafsson, T.; Olovsson, I. Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K Acta Crystallographica Section C 48(4) (1992) 603-607 Space group: A 1 2/a 1 Cell volume: 935 Cell parameters: 10.3827; 6.039; 15.2935; 90; 102.816; 90;

COD ID: 2001236
CIF file Original IUCr paper	Formula: - C6 H10 N2 S2 - Comments: De Ridder, D. J. A. Structure of <i>N</i>,<i>N</i>'-dimethylpiperazine-2,3-dithione: space group correction Acta Crystallographica Section C 49(11) (1993) 1975-1976 Space group: A 1 2/a 1 Cell volume: 823.22 Cell parameters: 10.653; 7.2936; 10.6398; 90; 95.26; 90;

COD ID: 2001371
CIF file Original IUCr paper	Formula: - C6 H16 Cl2 Hg N4 - Comments: Zouari, R.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H. Structure of [NH~3~(C~2~H~5~)]~2~[Hg(CN)~2~Cl~2~] Acta Crystallographica Section C 49(9) (1993) 1596-1598 Space group: A 1 2/a 1 Cell volume: 1286.6 Cell parameters: 16.32; 9.153; 8.649; 90; 95.21; 90;

COD ID: 2001410
CIF file Original IUCr paper	Formula: - C20 H26 O4 - Comments: Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E. Cyclobutane structures fused to a 13-membered ring Acta Crystallographica Section C 49(9) (1993) 1680-1683 Space group: A 1 2/a 1 Cell volume: 3653.8 Cell parameters: 28.875; 6.82; 19.572; 90; 108.56; 90;

COD ID: 2001555
CIF file Original IUCr paper	Formula: - C20 H20 I2 N2 O - Comments: Mori, Y.; Matsuyama, Y.; Suzuki, J.; Ishii, Y.; Yamada, S.; Maeda, K. Structure of diiodide salts of <i>N</i>-heteroaromatic dications Acta Crystallographica Section C 49(7) (1993) 1398-1401 Space group: A 1 2/a 1 Cell volume: 1963.3 Cell parameters: 17.099; 10.091; 11.386; 90; 92.09; 90;

COD ID: 2001556
CIF file Original IUCr paper	Formula: - C20 H18 I2 N2 - Comments: Mori, Y.; Matsuyama, Y.; Suzuki, J.; Ishii, Y.; Yamada, S.; Maeda, K. Structure of diiodide salts of <i>N</i>-heteroaromatic dications Acta Crystallographica Section C 49(7) (1993) 1398-1401 Space group: A 1 2/a 1 Cell volume: 1936.1 Cell parameters: 21.867; 6.119; 14.47; 90; 90.52; 90;

COD ID: 2001561
CIF file Original IUCr paper	Formula: - C41 H34 F6 O7 P2 S2 - Comments: Bram, A.; Burzlaff, H.; Hadawi, D.; Bestmann, H.-J. Structure of 1,3-bis(triphenylphosphonium)acetone bis(trifluoromethanesulfonate) Acta Crystallographica Section C 49(7) (1993) 1409-1410 Space group: A 1 2/a 1 Cell volume: 4096.2 Cell parameters: 20.529; 17.075; 11.82; 90; 98.65; 90;

COD ID: 2001942

CIF file

Original IUCr paper

Formula: - C36 H34 Mn3 N4 O12 -
Comments: Tsuneyoshi, K.; Kobayashi, H.; Miyamae, H. Structure of hexa-μ-acetato-1κ^3^O:2κ^3^O';2κ^3^O:3κ^3^O'-bis(1,10-phenanthroline)-1κ^2^N^1^,N^10^;2κ^2^N^1^,N^10^-trimanganese(II) Acta Crystallographica Section C 49(2) (1993) 233-236
Space group: A 1 2/a 1
Cell volume: 3704.7
Cell parameters: 26.414; 12.433; 11.41; 90; 98.63; 90;

COD ID: 2002891

CIF file

Original IUCr paper

Formula: - Al4.5 Fe Si -
Comments: Hansen, Vidar; Hauback, Bjørn; Sundberg, M.; Rømming, Chr.; Gjønnes, Jon β-Al~4.5~FeSi: A Combined Synchrotron Powder Diffraction, Electron Diffraction, High-Resolution Electron Microscopy and Single-Crystal X-ray Diffraction Study of a Faulted Structure Acta Crystallographica Section B 54(4) (1998) 351-357
Space group: A 1 2/a 1
Cell volume: 791.26
Cell parameters: 6.1676; 6.1661; 20.8093; 90; 91; 90;

COD ID: 2003398
CIF file Original IUCr paper	Formula: - C15 H13 N O4 - Comments: Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J. 3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated Acta Crystallographica Section C 51(4) (1995) 729-732 Space group: A 1 2/a 1 Cell volume: 2571.2 Cell parameters: 16.961; 13.219; 11.598; 90; 81.41; 90;

COD ID: 2004884
CIF file Original IUCr paper	Formula: - H O8 Rb3 Se2 - Comments: Melzer, R.; Sonntag, R.; Knight, K. S. Rb~3~H(SeO~4~)~2~ at 4K by Neutron Powder Diffraction Acta Crystallographica Section C 52(5) (1996) 1061-1063 Space group: A 1 2/a 1 Cell volume: 935.572 Cell parameters: 10.38719; 6.03925; 15.29563; 90; 102.825; 90;

COD ID: 2006663

CIF file

Original IUCr paper

Formula: - C24 H32 O7 -
Comments: Drouin, Marc; Couturier, Michel; Pierre Deslongchamps Diastereoselectivity in the Transannular Diels‒Alder Reaction of a trans-trans-trans 14-Membered Macrocycle Leading to Steroids Acta Crystallographica Section C 53(11) (1997) 1698-1701
Space group: A 1 2/a 1
Cell volume: 4641.2
Cell parameters: 23.756; 6.9151; 28.381; 90; 95.457; 90;

COD ID: 2008866

CIF file

HKL data

Original IUCr paper

Formula: - C12 H26 N2 Ni2 S6 -
Comments: Davies, Sian C.; Evans, David J.; Hughes, David L.; Longhurst, Steven Bis[μ-2,2',2''-nitrilotriethanethiolato(2 ‒)-N,S,S':S']dinickel(II) Acta Crystallographica Section C 55(9) (1999) 1436-1438
Space group: A 1 2/a 1
Cell volume: 1970.1
Cell parameters: 23.727; 5.837; 14.377; 90; 98.337; 90;

COD ID: 2009508
CIF file Original IUCr paper	Formula: - H K3 O8 Se2 - Comments: Ichikawa, Mizuhiko; Gustafsson, Torbjörn; Olovsson, Ivar K~3~H(SeO~4~)~2~ at 297 and 30 K Acta Crystallographica Section C 50(3) (1994) 330-332 Space group: A 1 2/a 1 Cell volume: 847.44 Cell parameters: 10.0464; 5.8561; 14.8215; 90; 103.629; 90;

COD ID: 2009509
CIF file Original IUCr paper	Formula: - H K3 O8 Se2 - Comments: Ichikawa, Mizuhiko; Gustafsson, Torbjörn; Olovsson, Ivar K~3~H(SeO~4~)~2~ at 297 and 30 K Acta Crystallographica Section C 50(3) (1994) 330-332 Space group: A 1 2/a 1 Cell volume: 869.85 Cell parameters: 10.1325; 5.9042; 14.962; 90; 103.638; 90;

COD ID: 2100794
CIF file Original IUCr paper	Formula: - Bi2.08 Cu O6 Sr1.84 - Comments: Leligny, H.; Durcok, S.; Labbe, P.; Ledesert, M.; Raveau, B. X-ray investigation of the incommensurate modulated structure of Bi~2.08~Sr~1.84~CuO~6{-~δ} Acta Crystallographica Section B 48(4) (1992) 407-418 Space group: A 1 2/a 1 Cell volume: 711.74 Cell parameters: 5.3791; 5.3811; 24.589; 90; 89.93; 90;

COD ID: 2101059
CIF file Original IUCr paper	Formula: - C7 H5 N O4 - Comments: Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I. Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives Acta Crystallographica Section B 49(6) (1993) 1031-1039 Space group: A 1 2/a 1 Cell volume: 1346.81 Cell parameters: 12.857; 5.0272; 20.997; 90; 97.072; 90;

COD ID: 2101145
CIF file Original IUCr paper	Formula: - Al4 Fe Si - Comments: Rømming, C.; Hansen, V.; Gjønnes, J. Crystal structure of β-Al~4.5~FeSi Acta Crystallographica Section B 50(3) (1994) 307-312 Space group: A 1 2/a 1 Cell volume: 791.8 Cell parameters: 6.161; 6.175; 20.813; 90; 90.42; 90;

COD ID: 2101622

CIF file

Original IUCr paper

Formula: - Nb2.11 O14 Sb3.89 Ti -
Comments: Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M. Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+x~Nb~3{-~x}TiO~14~ and Sb~3+x~Ta~3{-~x}TiO~14~ Acta Crystallographica Section B 52(6) (1996) 932-938
Space group: A 1 2/a 1
Cell volume: 1080.7
Cell parameters: 5.519; 4.865; 40.256; 90; 91.02; 90;

COD ID: 2101623

CIF file

Original IUCr paper

Formula: - O14 Sb4.26 Ta1.74 Ti -
Comments: Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M. Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+x~Nb~3{-~x}TiO~14~ and Sb~3+x~Ta~3{-~x}TiO~14~ Acta Crystallographica Section B 52(6) (1996) 932-938
Space group: A 1 2/a 1
Cell volume: 1066.79
Cell parameters: 5.492; 4.837; 40.165; 90; 91.08; 90;

COD ID: 2107628

CIF file

HKL data

Original IUCr paper

Formula: - Bi2.27 Cu O6.18 Sr1.73 -
Comments: Mironov, Andrei V.; Petříček, Vaclav; Khasanova, Nellie R.; Antipov, Evgeny V. New insight on bismuth cuprates with incommensurate modulated structures Acta Crystallographica Section B 72(3) (2016) 395-403
Space group: A 1 2/a 1
Cell volume: 713.32
Cell parameters: 5.3869; 5.3874; 24.579; 90; 90.01; 90;

COD ID: 2310425
CIF file	Formula: - H2 O - Comments: Kamb, B.; Prakash, A.; Knobler, C. Structure of Ice V Acta Crystallographica (1,1948-23,1967) 22 (1967) 706-715 Space group: A 1 2/a 1 Cell volume: 679.497 Cell parameters: 9.22; 7.54; 10.35; 90; 109.2; 90;

COD ID: 2310525
CIF file	Formula: - H2 N2 O2 - Comments: Beevers, C.A.; Trotman-Dickenson, A.F. The Crystal Structure of Nitramide, N H2 N O2 Acta Crystallographica (1,1948-23,1967) 10 (1957) 34-36 Space group: A 1 2/a 1 Cell volume: 231.477 Cell parameters: 6.65; 4.79; 7.86; 90; 112.4; 90;

COD ID: 4002441
CIF file	Formula: - Ca2 Cu2 Eu O6 - Comments: Xu Qiang; Klimczuk, T.; Jansen, J.; Zandbergen, H.W.; Cava, R.J. Structure and magnetic properties of Eu2 Ca Cu2 O6 Chemistry of Materials (1,1989-) 18 (2006) 4585-4591 Space group: A 1 2/a 1 Cell volume: 541.667 Cell parameters: 6.119; 6.132; 15.167; 90; 107.86; 90;

COD ID: 4002442
CIF file	Formula: - Ca Cu2 Eu2 O6 - Comments: Xu Qiang; Klimczuk, T.; Jansen, J.; Zandbergen, H.W.; Cava, R.J. Structure and magnetic properties of Eu2 Ca Cu2 O6 Chemistry of Materials (1,1989-) 18 (2006) 4585-4591 Space group: A 1 2/a 1 Cell volume: 544.885 Cell parameters: 6.084; 6.148; 15.34; 90; 108.262; 90;

COD ID: 4314933

CIF file

Formula: - C27 H35 Cl Cu N7 O6 Os -
Comments: Jun-Fang Guo; Wai-Fun Yeung; Pui-Ha Lau; Xiu-Teng Wang; Song Gao; Wing-Tak Wong; Stephen Sin-Yin Chui; Chi-Ming Che; Wai-Yeung Wong; Tai-Chu Lau trans-[OsIII(salen)(CN)2]-: A New Paramagnetic Building Block for the Construction of Molecule-Based Magnetic Materials Inorganic Chemistry 49 (2010) 1607-1614
Space group: A 1 2/a 1
Cell volume: 6509.2
Cell parameters: 26.3735; 13.4268; 18.3958; 90; 92.237; 90;

COD ID: 4504081

CIF file

Formula: - C38 H38 N8 O6 -
Comments: Wang, Wen-Hai; Xi, Pei-Hua; Su, Xiao-Yu; Lan, Jing-Bo; Mao, Zhi-Hua; You, Jing-Song; Xie, Ru-Gang Supramolecular Assemblies of Multifunctional Diimidazole and Dicarboxylic Acids via Various Hydrogen Bonds and X···π (X = π, CH) Interactions Crystal Growth & Design 7(4) (2007) 741
Space group: A 1 2/a 1
Cell volume: 3509
Cell parameters: 19.704; 7.299; 25.698; 90; 108.3; 90;

COD ID: 4505350
CIF file	Formula: - C6 H13 Cl2 Cu Hg N5 - Comments: Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B. Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations Crystal Growth & Design 4(3) (2004) 621 Space group: A 1 2/a 1 Cell volume: 2584.9 Cell parameters: 15.7274; 8.6102; 19.2642; 90; 97.735; 90;

COD ID: 7152363

CIF file

Formula: - C57 H66 O6 -
Comments: Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine. Organic & biomolecular chemistry 10(23) (2012) 4618-4626
Space group: A 1 2/a 1
Cell volume: 9368.1
Cell parameters: 27.9648; 9.851; 34.664; 90; 101.179; 90;

COD ID: 7204034

CIF file

Formula: - C12 H8 N1.5 S4 Se4 -
Comments: Narymbetov, Bakhyt Zh.; Canadell, Enric; Togonidze, Tamaz; Khasanov, Salavat S.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Kobayashi, Hayao First-order phase transition in the organic metal κ-(BETS)2C(CN)3 Journal of Materials Chemistry 11(2) (2001) 332
Space group: A 1 2/a 1
Cell volume: 3339
Cell parameters: 11.482; 8.33; 35.04; 90; 94.87; 90;

COD ID: 7221393
CIF file	Formula: - N2 O2 S3 - Comments: Weiss, J. Die Kristall- und Molekuelstruktur von Trischwefel Distickstoffdioxyd, S3 N2 O2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 16 (1961) 477-477 Space group: A 1 2/a 1 Cell volume: 511.424 Cell parameters: 6.84; 4.56; 16.51999; 90; 97; 90;

COD ID: 7702490

CIF file

Formula: - C35 H34 B2 Cu F8 N8 O -
Comments: Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C. Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives † Journal of the Chemical Society, Dalton Transactions (issue 5) (2001) 736
Space group: A 1 2/a 1
Cell volume: 3666.7
Cell parameters: 15.8308; 10.8103; 22.99; 90; 111.259; 90;

COD ID: 7703829

CIF file

Formula: - C12 H10 Co0.57 Fe0.43 K N10 -
Comments: Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C3H5N2)2[KFexCo1-x(CN)6]. Dalton transactions (Cambridge, England : 2003) 49(17) (2020) 5503-5512
Space group: A 1 2/a 1
Cell volume: 1654.3
Cell parameters: 15.089; 8.773; 13.454; 90; 111.74; 90;

COD ID: 9000829
CIF file	Formula: - Al Ca F2 Fe14 K Na4 O48 P12 - Comments: Moore, P. B.; Araki, T.; Merlino, S.; Mellini, M.; Zanazzi, P. F. The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: Crystal structure and crystal chemistry sample NM American Mineralogist 66 (1981) 1034-1049 Space group: A 1 2/a 1 Cell volume: 3921.59 Cell parameters: 24.692; 10.031; 16.453; 90; 105.78; 90;

COD ID: 9000830
CIF file	Formula: - Al Ca F2 Fe14 K Na4 O48 P12 - Comments: Moore, P. B.; Araki, T.; Merlino, S.; Mellini, M.; Zanazzi, P. F. The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: Crystal structure and crystal chemistry sample NP American Mineralogist 66 (1981) 1034-1049 Space group: A 1 2/a 1 Cell volume: 3955.27 Cell parameters: 24.73; 10.057; 16.526; 90; 105.78; 90;

COD ID: 9000831
CIF file	Formula: - Al Ca F2 Fe14 K Na4 O48 P12 - Comments: Moore, P. B.; Araki, T.; Merlino, S.; Mellini, M.; Zanazzi, P. F. The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: crystal structure and crystal chemistry sample BR American Mineralogist 66 (1981) 1034-1049 Space group: A 1 2/a 1 Cell volume: 4069.46 Cell parameters: 24.94; 10.131; 16.722; 90; 105.6; 90;

COD ID: 9000923
CIF file	Formula: - Ca O5 Si Ti - Comments: Hollabaugh, C. L.; Foit, F. F. The crystal structure of an Al-rich titanite from Grisons, Switzerland American Mineralogist 69 (1984) 725-732 Space group: A 1 2/a 1 Cell volume: 365.879 Cell parameters: 7.05; 8.681; 6.539; 90; 113.9; 90;

COD ID: 9001256
CIF file	Formula: - C2 H10 O16 Zn7 - Comments: Grice, J. D.; Dunn, P. J. Sclarite, a new mineral from Franklin, New Jersey, with essential octahedrally and tetrahedrally coordinated zinc: Description and structure refinement American Mineralogist 74 (1989) 1355-1359 Space group: A 1 2/a 1 Cell volume: 1310.19 Cell parameters: 16.11; 5.432; 15.041; 90; 95.49; 90;

COD ID: 9001320
CIF file	Formula: - F2 O4 Pb2 S - Comments: Kampf, A. R. Grandreefite, Pb2F2SO4: Crystal structure and relationship to the lanthanide oxide sulfates, Ln2O2SO4 American Mineralogist 76 (1991) 278-282 Space group: A 1 2/a 1 Cell volume: 523.147 Cell parameters: 8.667; 4.4419; 14.242; 90; 107.418; 90;

COD ID: 9001736

CIF file

Formula: - Ca O5 Si Sn -
Comments: Groat, L. A.; Kek, S.; Bismayer, U.; Schmidt, C.; Krane, H. G.; Meyer, H.; Nistor, L.; Van Tendeloo, G. A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman spectroscopic study of malayaite, CaSnSiO5 American Mineralogist 81 (1996) 595-602
Space group: A 1 2/a 1
Cell volume: 389.453
Cell parameters: 7.1535; 8.8933; 6.6674; 90; 113.342; 90;

COD ID: 9001794

CIF file

Formula: - Ca O5 Si Ti -
Comments: Kunz, M.; Xirouchakis, D.; Lindsley, D. H.; Hausermann, D. High-pressure phase transition in titanite (CaTiOSiO4) Sample: at 6.95 GPa Note: this is a not titanite but instead is a high-pressure polymorph of Ca, transfomred by pressure acting on titanite American Mineralogist 81 (1996) 1527-1530
Space group: A 1 2/a 1
Cell volume: 350.297
Cell parameters: 6.8912; 8.6234; 6.4065; 90; 113.057; 90;

COD ID: 9001842
CIF file	Formula: - Ca O5 Si Ti - Comments: Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E. Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: natural American Mineralogist 82 (1997) 512-516 Space group: A 1 2/a 1 Cell volume: 367.628 Cell parameters: 7.0425; 8.7155; 6.5376; 90; 113.629; 90;

COD ID: 9001843
CIF file	Formula: - Ca O5 Si Ti - Comments: Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E. Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: La-Al American Mineralogist 82 (1997) 512-516 Space group: A 1 2/a 1 Cell volume: 367.526 Cell parameters: 7.0348; 8.7119; 6.5498; 90; 113.712; 90;

COD ID: 9001844
CIF file	Formula: - Ca O5 Si Ti - Comments: Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E. Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: Dy-Al American Mineralogist 82 (1997) 512-516 Space group: A 1 2/a 1 Cell volume: 366.502 Cell parameters: 7.028; 8.7025; 6.5434; 90; 113.681; 90;

COD ID: 9001969

CIF file

Formula: - Al0.26 Ca O5 Si Ti0.74 -
Comments: Chrosch, J.; Colombo, M.; Malcherek, T.; Salje, E. K. H.; Groat, L. A.; Bismayer, U. Thermal annealing behaviour of radiation damaged titanite Sample is heated Cardiff titanite, 1123 K for 3 days American Mineralogist 83 (1998) 1083-1091
Space group: A 1 2/a 1
Cell volume: 365.876
Cell parameters: 7.0469; 8.6901; 6.5372; 90; 113.944; 90;

COD ID: 9002205
CIF file	Formula: - Al Ca F O4 Si - Comments: Troitzsch, U.; Ellis, D. J. The synthesis and crystal structure of CaAlFSiO4, the Al-F analog of titanite American Mineralogist 84 (1999) 1162-1169 Space group: A 1 2/a 1 Cell volume: 344.108 Cell parameters: 6.9149; 8.5064; 6.4384; 90; 114.684; 90;

COD ID: 9002441
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #007 at P = 1.70 GPa, T = 627 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 365.962 Cell parameters: 7.0246; 8.7037; 6.5329; 90; 113.619; 90;

COD ID: 9002444
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #010 at P = 1.84 GPa, T = 581 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 365.007 Cell parameters: 7.0169; 8.6981; 6.5264; 90; 113.603; 90;

COD ID: 9002445
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #011 at P = 1.88 GPa, T = 560 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 364.962 Cell parameters: 7.0158; 8.6986; 6.5257; 90; 113.592; 90;

COD ID: 9002446
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #012 at P = 2.87 GPa, T = 666 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 362.482 Cell parameters: 6.9915; 8.6881; 6.5068; 90; 113.492; 90;

COD ID: 9002447
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #013 at P = 3.25 GPa, T = 538 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 360.108 Cell parameters: 6.9754; 8.6723; 6.4885; 90; 113.443; 90;

COD ID: 9002448
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #014 at P = 3.19 GPa, T = 490 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 360.032 Cell parameters: 6.9749; 8.6726; 6.4885; 90; 113.466; 90;

COD ID: 9002449
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #015 at P = 3.13 GPa, T = 448 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 359.889 Cell parameters: 6.9736; 8.6716; 6.4889; 90; 113.487; 90;

COD ID: 9002450
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #016 at P = 2.88 GPa, T = 371 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 360.294 Cell parameters: 6.9786; 8.6726; 6.491; 90; 113.491; 90;

COD ID: 9002452
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #018 at P = 3.56 GPa, T = 658 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 360.293 Cell parameters: 6.9737; 8.676; 6.4902; 90; 113.434; 90;

COD ID: 9002453
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #019 at P = 3.97 GPa, T = 659 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 359.281 Cell parameters: 6.9656; 8.6709; 6.4816; 90; 113.399; 90;

COD ID: 9002454
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #020 at P = 4.29 GPa, T = 618 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 358.058 Cell parameters: 6.956; 8.6644; 6.4713; 90; 113.358; 90;

COD ID: 9002455
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #021 at P = 4.26 GPa, T = 568 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 357.589 Cell parameters: 6.9529; 8.661; 6.4677; 90; 113.347; 90;

COD ID: 9002456
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #022 at P = 4.11 GPa, T = 525 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 357.597 Cell parameters: 6.954; 8.6603; 6.4674; 90; 113.348; 90;

COD ID: 9002457
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #023 at P = 4.10 GPa, T = 483 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 357.372 Cell parameters: 6.9527; 8.6576; 6.4666; 90; 113.349; 90;

COD ID: 9002458
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #024 at P = 3.86 GPa, T = 399 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 357.639 Cell parameters: 6.9543; 8.6586; 6.4707; 90; 113.38; 90;

COD ID: 9002459
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #025 at P = 3.63 GPa, T = 301 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 357.538 Cell parameters: 6.9559; 8.6586; 6.4672; 90; 113.376; 90;

COD ID: 9002460
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #026 at P = 4.67 GPa, T = 658 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 357.285 Cell parameters: 6.9496; 8.6605; 6.4654; 90; 113.342; 90;

COD ID: 9002461
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #027 at P = 4.93 GPa, T = 609 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 356.231 Cell parameters: 6.9413; 8.6549; 6.457; 90; 113.317; 90;

COD ID: 9002462
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #028 at P = 4.88 GPa, T = 568 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 356.071 Cell parameters: 6.941; 8.6539; 6.4559; 90; 113.333; 90;

COD ID: 9002463
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #029 at P = 4.80 GPa, T = 522 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 355.998 Cell parameters: 6.9409; 8.6532; 6.4551; 90; 113.331; 90;

COD ID: 9002464
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #030 at P = 4.75 GPa, T = 469 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 355.89 Cell parameters: 6.9395; 8.6529; 6.455; 90; 113.338; 90;

COD ID: 9002465
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #031 at P = 4.61 GPa, T = 396 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 355.591 Cell parameters: 6.9385; 8.6498; 6.4533; 90; 113.348; 90;

COD ID: 9002466
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #032 at P = 4.45 GPa, T = 338 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 355.836 Cell parameters: 6.9399; 8.6524; 6.4547; 90; 113.352; 90;

COD ID: 9002467
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #033 at P = 4.36 GPa, T = 301 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 355.92 Cell parameters: 6.9414; 8.6521; 6.4553; 90; 113.357; 90;

COD ID: 9002468
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #034 at P = 4.89 GPa, T = 656 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 356.776 Cell parameters: 6.9443; 8.6582; 6.4621; 90; 113.327; 90;

COD ID: 9002469
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #035 at P = 4.34 GPa, T = 660 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 357.998 Cell parameters: 6.9534; 8.6641; 6.473; 90; 113.361; 90;

COD ID: 9002470
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #036 at P = 3.79 GPa, T = 662 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 359.565 Cell parameters: 6.9664; 8.6728; 6.4846; 90; 113.4; 90;

COD ID: 9002471
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #037 at P = 2.87 GPa, T = 666 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 362.482 Cell parameters: 6.9915; 8.6881; 6.5068; 90; 113.492; 90;

COD ID: 9002472
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #038 at P = 2.74 GPa, T = 619 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 362.496 Cell parameters: 6.9926; 8.6872; 6.5068; 90; 113.494; 90;

COD ID: 9002473
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #039 at P = 2.65 GPa, T = 576 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 362.24 Cell parameters: 6.9915; 8.6849; 6.5051; 90; 113.497; 90;

COD ID: 9002474
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #040 at P = 2.51 GPa, T = 523 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 362.331 Cell parameters: 6.9929; 8.685; 6.5059; 90; 113.508; 90;

COD ID: 9002475
CIF file	Formula: - Ca O5 Si Ti - Comments: Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #041 at P = 2.39 GPa, T = 481 K American Mineralogist 85 (2000) 1465-1473 Space group: A 1 2/a 1 Cell volume: 362.502 Cell parameters: 6.995; 8.6858; 6.5068; 90; 113.516; 90;

COD ID: 9002892
CIF file	Formula: - Ca O5 Si Sn - Comments: Rath, S.; Kunz, M.; Miletich, R. Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 0.0 GPa American Mineralogist 88 (2003) 293-300 Space group: A 1 2/a 1 Cell volume: 389.21 Cell parameters: 7.1523; 8.8902; 6.6677; 90; 113.362; 90;

COD ID: 9002893
CIF file	Formula: - Ca O5 Si Sn - Comments: Rath, S.; Kunz, M.; Miletich, R. Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 4.238 GPa American Mineralogist 88 (2003) 293-300 Space group: A 1 2/a 1 Cell volume: 377.117 Cell parameters: 7.056; 8.8436; 6.5629; 90; 112.948; 90;

COD ID: 9002894
CIF file	Formula: - Ca O5 Si Sn - Comments: Rath, S.; Kunz, M.; Miletich, R. Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 4.505 GPa American Mineralogist 88 (2003) 293-300 Space group: A 1 2/a 1 Cell volume: 376.384 Cell parameters: 7.0498; 8.8402; 6.5573; 90; 112.925; 90;

COD ID: 9003665
CIF file	Formula: - Ca Ge O5 Ti0.807 Zr0.192 - Comments: Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti80, hi-T titanite structure American Mineralogist 90 (2005) 687-694 Space group: A 1 2/a 1 Cell volume: 391.94 Cell parameters: 7.1749; 8.93321; 6.67312; 90; 113.6; 90;

COD ID: 9003666
CIF file	Formula: - Ca Ge O5 Ti0.507 Zr0.492 - Comments: Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti50, hi-T titanite structure American Mineralogist 90 (2005) 687-694 Space group: A 1 2/a 1 Cell volume: 403.944 Cell parameters: 7.25821; 9.01791; 6.722; 90; 113.351; 90;

COD ID: 9004920
CIF file	Formula: - Ca O5 Si Ti0.76 Zr0.24 - Comments: Liferovich, R. P.; Mitchell, R. H. Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues The Canadian Mineralogist 43 (2005) 795-812 Space group: A 1 2/a 1 Cell volume: 377.395 Cell parameters: 7.1136; 8.7724; 6.5987; 90; 113.581; 90;

COD ID: 9004921

CIF file

Formula: - Ca0.85 Na0.14 Nb0.15 O5 Si Ti0.7 Zr0.15 -
Comments: Liferovich, R. P.; Mitchell, R. H. Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues The Canadian Mineralogist 43 (2005) 795-812
Space group: A 1 2/a 1
Cell volume: 376.832
Cell parameters: 7.1276; 8.7541; 6.6031; 90; 113.847; 90;

COD ID: 9005081

CIF file

Formula: - Al0.282 Ca0.996 Fe0.011 O5 Si0.992 Ti0.714 -
Comments: Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites Sample: D167 Note: y-coord of Ca altered to reproduce published bond lengths European Journal of Mineralogy 3 (1991) 777-792
Space group: A 1 2/a 1
Cell volume: 363.356
Cell parameters: 7.049; 8.653; 6.527; 90; 114.12; 90;

COD ID: 9005082
CIF file	Formula: - Al0.322 Ca0.984 Fe0.014 O5 Si Ti0.661 - Comments: Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites Sample: K52 European Journal of Mineralogy 3 (1991) 777-792 Space group: A 1 2/a 1 Cell volume: 362.364 Cell parameters: 7.045; 8.647; 6.522; 90; 114.21; 90;

COD ID: 9005083
CIF file	Formula: - Al0.349 Ca0.986 Fe0.023 O5 Si Ti0.605 - Comments: Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites Sample: TK22 European Journal of Mineralogy 3 (1991) 777-792 Space group: A 1 2/a 1 Cell volume: 361.285 Cell parameters: 7.043; 8.637; 6.514; 90; 114.25; 90;

COD ID: 9005084
CIF file	Formula: - Al0.363 Ca Fe0.013 O5 Si0.988 Ti0.636 - Comments: Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites Sample: HEL697 European Journal of Mineralogy 3 (1991) 777-792 Space group: A 1 2/a 1 Cell volume: 360.973 Cell parameters: 7.038; 8.635; 6.514; 90; 114.24; 90;

COD ID: 9005414
CIF file	Formula: - Al0.099 Ca F0.099 O4.901 Si Ti0.901 - Comments: Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J Crystal structural changes in titanite along the join TiO-AlF Sample: AlF09 European Journal of Mineralogy 11 (1999) 955-965 Space group: A 1 2/a 1 Cell volume: 366.876 Cell parameters: 7.0541; 8.6925; 6.5445; 90; 113.903; 90;

COD ID: 9005415
CIF file	Formula: - Al0.182 Ca F0.182 O4.818 Si Ti0.818 - Comments: Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J Crystal structural changes in titanite along the join TiO-AlF Sample: AlF18 European Journal of Mineralogy 11 (1999) 955-965 Space group: A 1 2/a 1 Cell volume: 364.845 Cell parameters: 7.0511; 8.6722; 6.5325; 90; 114.026; 90;

COD ID: 9005416
CIF file	Formula: - Al0.291 Ca F0.291 O4.709 Si Ti0.709 - Comments: Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J Crystal structural changes in titanite along the join TiO-AlF Sample: AlF29 European Journal of Mineralogy 11 (1999) 955-965 Space group: A 1 2/a 1 Cell volume: 362.925 Cell parameters: 7.0462; 8.6529; 6.5231; 90; 114.143; 90;

COD ID: 9005417
CIF file	Formula: - Al0.372 Ca F0.372 O4.628 Si Ti0.628 - Comments: Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J Crystal structural changes in titanite along the join TiO-AlF Sample: AlF37 European Journal of Mineralogy 11 (1999) 955-965 Space group: A 1 2/a 1 Cell volume: 360.948 Cell parameters: 7.0368; 8.636; 6.5135; 90; 114.232; 90;

COD ID: 9005418
CIF file	Formula: - Al0.489 Ca F0.489 O4.511 Si Ti0.511 - Comments: Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J Crystal structural changes in titanite along the join TiO-AlF Sample: AlF49 European Journal of Mineralogy 11 (1999) 955-965 Space group: A 1 2/a 1 Cell volume: 358.342 Cell parameters: 7.0229; 8.613; 6.5023; 90; 114.344; 90;

COD ID: 9005419
CIF file	Formula: - Al0.672 Ca F0.672 O4.328 Si Ti0.328 - Comments: Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J Crystal structural changes in titanite along the join TiO-AlF Sample: AlF67 European Journal of Mineralogy 11 (1999) 955-965 Space group: A 1 2/a 1 Cell volume: 353.537 Cell parameters: 6.9904; 8.5759; 6.4798; 90; 114.48; 90;

COD ID: 9005420
CIF file	Formula: - Al0.819 Ca F0.819 O4.181 Si Ti0.181 - Comments: Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J Crystal structural changes in titanite along the join TiO-AlF Sample: AlF82 European Journal of Mineralogy 11 (1999) 955-965 Space group: A 1 2/a 1 Cell volume: 349.312 Cell parameters: 6.958; 8.5445; 6.4612; 90; 114.585; 90;

COD ID: 9005421
CIF file	Formula: - Al Ca F O4 Si - Comments: Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J Crystal structural changes in titanite along the join TiO-AlF Sample: AlF100 European Journal of Mineralogy 11 (1999) 955-965 Space group: A 1 2/a 1 Cell volume: 344.236 Cell parameters: 6.9157; 8.5076; 6.4391; 90; 114.683; 90;

COD ID: 9005927

CIF file

Formula: - Ca O5 Si Ti -
Comments: Ghose, S.; Ito, Y.; Hatch, D. M. Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 500 K Physics and Chemistry of Minerals 17 (1991) 591-603
Space group: A 1 2/a 1
Cell volume: 372.43
Cell parameters: 7.0719; 8.7464; 6.5783; 90; 113.751; 90;

COD ID: 9005928

CIF file

Formula: - Ca O5 Si Ti -
Comments: Ghose, S.; Ito, Y.; Hatch, D. M. Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 600 K Physics and Chemistry of Minerals 17 (1991) 591-603
Space group: A 1 2/a 1
Cell volume: 372.971
Cell parameters: 7.073; 8.7508; 6.5824; 90; 113.729; 90;

COD ID: 9005929

CIF file

Formula: - Ca O5 Si Ti -
Comments: Ghose, S.; Ito, Y.; Hatch, D. M. Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 700 K Physics and Chemistry of Minerals 17 (1991) 591-603
Space group: A 1 2/a 1
Cell volume: 373.447
Cell parameters: 7.0726; 8.7558; 6.5859; 90; 113.699; 90;

COD ID: 9006651
CIF file	Formula: - Ca O5 Si Sn - Comments: Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G. An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 300 K Physics and Chemistry of Minerals 26 (1999) 546-553 Space group: A 1 2/a 1 Cell volume: 388.244 Cell parameters: 7.156; 8.875; 6.66; 90; 113.38; 90;

COD ID: 9006652
CIF file	Formula: - Ca O5 Si Sn - Comments: Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G. An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 450 K Physics and Chemistry of Minerals 26 (1999) 546-553 Space group: A 1 2/a 1 Cell volume: 390.244 Cell parameters: 7.16; 8.897; 6.672; 90; 113.34; 90;

COD ID: 9006653

CIF file

Formula: - Ca O5 Si Sn -
Comments: Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G. An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 550 K Note: U33 for O1 has been altered by personal communication with authors, Dec 2003 Physics and Chemistry of Minerals 26 (1999) 546-553
Space group: A 1 2/a 1
Cell volume: 391.038
Cell parameters: 7.166; 8.903; 6.678; 90; 113.39; 90;

COD ID: 9006654
CIF file	Formula: - Ca O5 Si Sn - Comments: Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G. An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 670 K Physics and Chemistry of Minerals 26 (1999) 546-553 Space group: A 1 2/a 1 Cell volume: 391.714 Cell parameters: 7.173; 8.901; 6.683; 90; 113.36; 90;

COD ID: 9006655

CIF file

Formula: - Ca O5 Si Sn -
Comments: Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G. An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 730 K Note: x-coordinate of O1 altered from the value reported Physics and Chemistry of Minerals 26 (1999) 546-553
Space group: A 1 2/a 1
Cell volume: 392.163
Cell parameters: 7.167; 8.912; 6.688; 90; 113.36; 90;

COD ID: 9007340
CIF file	Formula: - Ca O5 Si Ti0.9 Zr0.1 - Comments: Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.1 Physics and Chemistry of Minerals 32 (2005) 40-51 Space group: A 1 2/a 1 Cell volume: 372.383 Cell parameters: 7.0788; 8.7378; 6.5754; 90; 113.709; 90;

COD ID: 9007341
CIF file	Formula: - Ca O5 Si Ti0.81 Zr0.19 - Comments: Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.2 Physics and Chemistry of Minerals 32 (2005) 40-51 Space group: A 1 2/a 1 Cell volume: 375.329 Cell parameters: 7.0992; 8.758; 6.5894; 90; 113.635; 90;

COD ID: 9007342
CIF file	Formula: - Ca O5 Si Ti0.71 Zr0.29 - Comments: Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.3 Physics and Chemistry of Minerals 32 (2005) 40-51 Space group: A 1 2/a 1 Cell volume: 378.933 Cell parameters: 7.1252; 8.7826; 6.6057; 90; 113.553; 90;

COD ID: 9007343
CIF file	Formula: - Ca O5 Si Ti0.62 Zr0.38 - Comments: Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.4 Physics and Chemistry of Minerals 32 (2005) 40-51 Space group: A 1 2/a 1 Cell volume: 381.829 Cell parameters: 7.1481; 8.8011; 6.6171; 90; 113.477; 90;

COD ID: 9007344
CIF file	Formula: - Ca O5 Si Ti0.51 Zr0.49 - Comments: Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.5 Physics and Chemistry of Minerals 32 (2005) 40-51 Space group: A 1 2/a 1 Cell volume: 386.119 Cell parameters: 7.1824; 8.8281; 6.6337; 90; 113.369; 90;

COD ID: 9007414
CIF file	Formula: - Ca0.9 Na0.1 O5 Si Ta0.1 Ti0.9 - Comments: Liferovich, R. P.; Mitchell, R. H. Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa1 Physics and Chemistry of Minerals 33 (2006) 73-83 Space group: A 1 2/a 1 Cell volume: 371.132 Cell parameters: 7.0826; 8.7156; 6.5767; 90; 113.911; 90;

COD ID: 9007415
CIF file	Formula: - Ca0.8 Na0.2 O5 Si Ta0.2 Ti0.8 - Comments: Liferovich, R. P.; Mitchell, R. H. Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa2 Physics and Chemistry of Minerals 33 (2006) 73-83 Space group: A 1 2/a 1 Cell volume: 373.346 Cell parameters: 7.1122; 8.7166; 6.5962; 90; 114.078; 90;

COD ID: 9007416
CIF file	Formula: - Al0.1 Ca O5 Si Ta0.1 Ti0.8 - Comments: Liferovich, R. P.; Mitchell, R. H. Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa1 Physics and Chemistry of Minerals 33 (2006) 73-83 Space group: A 1 2/a 1 Cell volume: 369.204 Cell parameters: 7.0547; 8.7121; 6.5629; 90; 113.75; 90;

COD ID: 9007417
CIF file	Formula: - Al0.2 Ca O5 Si Ta0.2 Ti0.6 - Comments: Liferovich, R. P.; Mitchell, R. H. Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa2 Physics and Chemistry of Minerals 33 (2006) 73-83 Space group: A 1 2/a 1 Cell volume: 370.113 Cell parameters: 7.061; 8.7162; 6.5697; 90; 113.742; 90;

COD ID: 9007418
CIF file	Formula: - Al0.3 Ca O5 Si Ta0.3 Ti0.4 - Comments: Liferovich, R. P.; Mitchell, R. H. Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa3 Physics and Chemistry of Minerals 33 (2006) 73-83 Space group: A 1 2/a 1 Cell volume: 371.266 Cell parameters: 7.0699; 8.722; 6.5776; 90; 113.744; 90;

COD ID: 9008071
CIF file	Formula: - Hg S8 Sb4 - Comments: Niizeki, N.; Buerger, M. J. The crystal structure of livingstonite, HgSb4S8 Zeitschrift fur Kristallographie 109 (1957) 129-157 Space group: A 1 2/a 1 Cell volume: 2519.67 Cell parameters: 30.25; 4; 21.48; 90; 104.2; 90;

COD ID: 9008247
CIF file	Formula: - Hg S8 Sb4 - Comments: Srikrishnan, T.; Nowacki, W. A redetermination of the crystal structure of livingstonite, HgSb4S8 Zeitschrift fur Kristallographie 141 (1975) 174-192 Space group: A 1 2/a 1 Cell volume: 2562.71 Cell parameters: 30.567; 4.015; 21.465; 90; 103.39; 90;

COD ID: 9008437
CIF file	Formula: - Ca6 O19 Si6 - Comments: Hejny, C.; Armbruster, T. Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979) Zeitschrift fur Kristallographie 216 (2001) 396-408 Space group: A 1 2/a 1 Cell volume: 1758.54 Cell parameters: 17.032; 7.363; 14.023; 90; 90.36; 90;

COD ID: 9009231
CIF file	Formula: - Al2.364 Ca Fe9.14 H58 K0.567 Mg0.28 Mn11.06 O104.33 Si29.636 Zn0.14 - Comments: Heaney, P. J.; Post, J. E.; Evans, H. T. The crystal structure of bannisterite Clays and Clay Minerals 40 (1992) 129-144 Space group: A 1 2/a 1 Cell volume: 8948.35 Cell parameters: 22.286; 16.386; 24.575; 90; 94.355; 90;

COD ID: 9009232
CIF file	Formula: - Al2.352 Ca Fe2.9 H58 K0.76 Mg2.86 Mn12.44 O103.69 Si29.648 Zn2.02 - Comments: Heaney, P. J.; Post, J. E.; Evans, H. T. The crystal structure of bannisterite Clays and Clay Minerals 40 (1992) 129-144 Space group: A 1 2/a 1 Cell volume: 8964.72 Cell parameters: 22.265; 16.368; 24.668; 90; 94.285; 90;

COD ID: 9009932
CIF file	Formula: - Ag As S2 - Comments: Hellner, E.; Burzlaff, H. Die struktur des smithits AgAsS2 Naturwissenschaften 51 (1964) 35-36 Space group: A 1 2/a 1 Cell volume: 1997.43 Cell parameters: 17.23; 7.78; 15.19; 90; 101.2; 90;

COD ID: 9010577
CIF file	Formula: - Ca0.9 Na0.1 Nb0.1 O5 Si Ti0.9 - Comments: Liferovich, R. P.; Mitchell, R. H. Solid solutions of niobium in synthetic titanite Sample: NaNb1 The Canadian Mineralogist 44 (2006) 1089-1097 Space group: A 1 2/a 1 Cell volume: 371.225 Cell parameters: 7.0815; 8.7175; 6.575; 90; 113.853; 90;

COD ID: 9010578
CIF file	Formula: - Ca0.8 Na0.2 Nb0.2 O5 Si Ti0.8 - Comments: Liferovich, R. P.; Mitchell, R. H. Solid solutions of niobium in synthetic titanite Sample: NaNb2 The Canadian Mineralogist 44 (2006) 1089-1097 Space group: A 1 2/a 1 Cell volume: 371.978 Cell parameters: 7.0952; 8.7172; 6.5824; 90; 113.982; 90;

COD ID: 9010579
CIF file	Formula: - Al0.1 Ca Nb0.1 O5 Si Ti0.8 - Comments: Liferovich, R. P.; Mitchell, R. H. Solid solutions of niobium in synthetic titanite Sample: AlNb1 The Canadian Mineralogist 44 (2006) 1089-1097 Space group: A 1 2/a 1 Cell volume: 369.521 Cell parameters: 7.0571; 8.7169; 6.563; 90; 113.756; 90;

COD ID: 9010580
CIF file	Formula: - Al0.2 Ca Nb0.2 O5 Si Ti0.6 - Comments: Liferovich, R. P.; Mitchell, R. H. Solid solutions of niobium in synthetic titanite Sample: AlNb2 The Canadian Mineralogist 44 (2006) 1089-1097 Space group: A 1 2/a 1 Cell volume: 369.866 Cell parameters: 7.0594; 8.7188; 6.5651; 90; 113.747; 90;

COD ID: 9011072
CIF file	Formula: - C6 D6 Fe K4 N6 O3 - Comments: Taylor, J. C.; Mueller, M. H.; Hitterman, R. L. A neutron diffraction study of ferroelectric KFCT, K4Fe(CN)63D2O, above the Curie temperature Locality: synthetic Acta Crystallographica, Section A 26 (1970) 559-567 Space group: A 1 2/a 1 Cell volume: 1502.17 Cell parameters*: 9.415; 17.006; 9.382; 90; 90.03; 90;

COD ID: 9011224
CIF file	Formula: - C2 H10 Mg0.773 Mn3.684 O16 Zn2.543 - Comments: Hill, R. J. The structure of loseyite Note: AnisoU's from ICSD Acta Crystallographica, Section B 37 (1981) 1323-1328 Space group: A 1 2/a 1 Cell volume: 1370.85 Cell parameters: 16.408; 5.54; 15.15; 90; 95.48; 90;

COD ID: 9012507
CIF file	Formula: - As Mg0.92 Mn4.08 O12 Sb Si - Comments: Marsh, R. E.; Schomaker, V. Some incorrect space groups in Inorganic Chemistry, Volume 16 Inorganic Chemistry 18 (1979) 2331-2336 Space group: A 1 2/a 1 Cell volume: 1889.59 Cell parameters: 10.048; 19.418; 9.735; 90; 95.83; 90;

COD ID: 9014872
CIF file	Formula: - H K0.27 Mn2 O9.47 Si3.36 - Comments: Eggleton, R. A.; Guggenheim, S. A re-examination of the structure of ganophyllite Mineralogical Magazine 50 (1986) 307-315 Space group: A 1 2/a 1 Cell volume: 1878.55 Cell parameters: 5.533; 13.565; 25.09; 90; 94; 90;

COD ID: 9016514
CIF file	Formula: - H1.68 Na O7.34 Si2 Ti - Comments: Rastsvetaeva, R. K.; Andrianov, V. I. Refined crystal structure of vinogradovite Soviet Physics Crystallography 29 (1984) 403-406 Space group: A 1 2/a 1 Cell volume: 1098.62 Cell parameters: 5.219; 8.691; 25.01; 90; 104.43; 90;

COD ID: 9017827
CIF file	Formula: - Na2 O13 Si4 Ti2 - Comments: Rastsvetaeva, R. K.; Simonov, V. I.; Belov, N. V. Crystal structure of vinogradovite Na4Ti4[Si2O6]2[Si4O10]O4nH2O Soviet Physics Doklady 12 (1968) 1090-1092 Space group: A 1 2/a 1 Cell volume: 1088.8 Cell parameters*: 5.35; 8.56; 24.22; 90; 101; 90;

COD ID: 9017849
CIF file	Formula: - Hg S8 Sb4 - Comments: Borisov, S. V.; Perukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Vasil'ev, V. I. Crystallographic analysis of the structure of livingstonite HgSb4S8 from refined data Crystallography Reports 55 (2010) 224-228 Space group: A 1 2/a 1 Cell volume: 2501.74 Cell parameters: 30.1543; 3.9953; 21.4262; 90; 104.265; 90;

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