Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9014377 | CIF | Ru S2 | P a -3 | 5.57; 5.57; 5.57 90; 90; 90 | 172.809 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 9014378 | CIF | Al6.24 As0.13 B H0.52 O17.499 Sb0.343 Si2.499 Ta0.248 | P n m a | 4.695; 11.906; 20.38 90; 90; 90 | 1139.21 | Kazantsev, S. S.; Zubkova, N. V.; Voloshin, A. V. Refinement of composition and structure of holtite I Crystallography Reports, 2006, 51, 412-413 |
| 9014379 | CIF | Al2 Ca0.034 H4 O10 Si2 Sr0.966 | P 1 21/m 1 | 5.4205; 13.2735; 5.8573 90; 124.43; 90 | 347.6 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU92 American Mineralogist, 2010, 95, 724-735 |
| 9014381 | CIF | Al7.194 B3 Ca0.563 F0.693 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6 | R 3 m :H | 15.8529; 15.8529; 7.1101 90; 90; 120 | 1547.47 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L2, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014382 | CIF | Cl6 K3 Mn Na | R -3 c :H | 12.0966; 12.0966; 13.9555 90; 90; 120 | 1768.49 | Kampf, A. R.; Mills, S. J.; Nestola, F.; Ciriotti, M. E.; Kasatkin, A. V. Saltonseaite, K3NaMn2+Cl6, the Mn analogue of rinneite from the Salton Sea, California American Mineralogist, 2012, 98, 231-235 |
| 9014384 | CIF | Ba Cu2 O7 Si2 | P n m a | 6.8556; 13.1725; 6.8901 90; 90; 90 | 622.213 | Yang, H.; Downs, R. T.; Evans, S. H.; Pinch, W. W. Scottyite, the natural analog of synthetic BaCu2Si2O7, a new mineral from the Wessels mine, Kalahari Manganese Fields, South Africa American Mineralogist, 2013, 98, 478-484 |
| 9014385 | CIF | As4 Ca Cu10 H10 O34 Te4 | P -1 | 8.9925; 10.1291; 8.9971 102.668; 92.49; 70.434 | 752.989 | Kampf, A. R.; Mills, S. J. The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite Journal of Geosciences, 2011, 56, 235-247 |
| 9014386 | CIF | Al1.461 Fe0.54 Mg1.001 O4 | F d -3 m :2 | 8.1701; 8.1701; 8.1701 90; 90; 90 | 545.359 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 52,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014388 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.643; 6.643; 9.766 90; 90; 120 | 373.229 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 0.0001 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9014389 | CIF | Al6.668 As0.087 B O17.898 Sb0.022 Si2.89 | P n m a | 4.6901; 11.7874; 20.1872 90; 90; 90 | 1116.03 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D27 The Canadian Mineralogist, 2012, 50, 855-872 |
| 9014390 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.036; 11.036; 10.3845 90; 90; 120 | 1095.32 | Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D. Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 22.5 K American Mineralogist, 2012, 97, 1060-1069 |
| 9014392 | CIF | Ca N2 O10 | P 1 21/n 1 | 6.277; 9.157; 14.484 90; 98.6; 90 | 823.158 | Ribar, B.; Divjakovic, V.; Herak, R.; Prelesnik, B. A new crystal structure study of Ca(NO3)2*(H2O) Acta Crystallographica, Section B, 1973, 29, 1546-1548 |
| 9014394 | CIF | Al6.809 As0.099 B O17.876 Sb0.025 Si2.876 | P n m a | 4.6871; 11.7901; 20.1825 90; 90; 90 | 1115.31 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D31 The Canadian Mineralogist, 2012, 50, 855-872 |
| 9014395 | CIF | Ru Se2 | P a -3 | 5.9336; 5.9336; 5.9336 90; 90; 90 | 208.908 | Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T. Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2 Acta Crystallographica, Section C, 1990, 46, 2003-2005 |
| 9014396 | CIF | Fe Nb0.2 O6 Ta1.8 | P 42/m n m | 4.7515; 4.7515; 9.254 90; 90; 90 | 208.925 | von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Curran spectrometer Arkiv for Kemi, 1968, 28, 375-387 |
| 9014397 | CIF | Al0.107 Fe0.893 H10.404 K0.399 N2.601 O12 S3 | R 3 c :H | 15.2171; 15.2171; 8.9323 90; 90; 120 | 1791.26 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2010, 48, 307-313 |
| 9014399 | CIF | Ba2 Cu O7 Si2 | P -4 21 m | 8.284; 8.284; 5.313 90; 90; 90 | 364.603 | Du, J. M.; Zeng, H. Y.; Song, L. J.; Dong, Z. C.; Ma, H. W.; Guo, G. C.; Huang, J. S. Synthesis and structure of a new polymorph Ba2CuSi2O7 Note: known as beta-Ba2CuSi2O7 Jiegou Huaxue, 2003, 22, 33-36 |
| 9014400 | CIF | Al1.884 Be2.859 Cu0.141 Fe0.116 H0.88 Li0.12 O18.44 Si6 | P 6/m c c | 9.2502; 9.2502; 9.2184 90; 90; 120 | 683.107 | Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A. Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-1 Mineralogical Magazine, 2008, 72, 799-808 |
| 9014401 | CIF | S | P 32 2 1 | 7.0897; 7.0897; 4.30238 90; 90; 120 | 187.282 | Crichton, W. A.; Vaughan, G. B. M.; Mezouar, M. In situ structure solution of helical sulphur at 3 GPa and 400 deg C P = 3 GPa, T = 400 C Zeitschrift fur Kristallographie, 2001, 216, 417-419 |
| 9014404 | CIF | Fe Si2 | P 4/m m m | 2.696; 2.696; 5.147 90; 90; 90 | 37.411 | Li, G.; Bai, W.; Shi, N.; Fang, Q.; Xiong, M.; Yang, J.; Ma, Z.; Rong, H. Linzhiite, FeSi2, a redefined and revalidated new mineral species from Luobusha, Tibet, China European Journal of Mineralogy, 2012, 24, 1047-1052 |
| 9014408 | CIF | Al2 Ca0.971 H4 O10 Si2 Sr0.029 | C m c m | 5.8417; 8.7904; 13.1345 90; 90; 90 | 674.468 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU77 American Mineralogist, 2010, 95, 724-735 |
| 9014409 | CIF | Al1.609 Fe0.388 Mg1.001 O4 | F d -3 m :2 | 8.1482; 8.1482; 8.1482 90; 90; 90 | 540.985 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 339,180 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014410 | CIF | Ca3.4 O70.76 Si24 | I m m a | 19.949; 23.445; 12.607 90; 90; 90 | 5896.35 | Arletti, R.; Quartieri, S.; Vezzalini, G. Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 3.6 GPa Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256 |
| 9014411 | CIF | Be O | P 63 m c | 2.6983; 2.6983; 4.3776 90; 90; 120 | 27.602 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 3 in mount Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9014412 | CIF | Bi Cu6 Se6 | P m c n | 4.0341; 27.056; 9.5559 90; 90; 90 | 1042.99 | Paar, W. H.; Cooper, M. A.; Moelo, Y.; Stanley, C. J.; Putz, H.; Topa, D.; Roberts, A. C.; Stirling, J.; Raith, J. G.; Rowe, R. Eldragonite, Cu6BiSe4(Se2), a new mineral species from the El Dragon mine, Potosi, Bolivia, and its crystal structure The Canadian Mineralogist, 2012, 50, 281-294 |
| 9014415 | CIF | C Ca O3 | R -3 c :H | 4.9748; 4.9748; 17.27 90; 90; 120 | 370.147 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 420 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014417 | CIF | Ca1.78 Fe1.72 H2 K0.2 Mg3.5 Na1.06 O24 Si8 | C 1 2/m 1 | 9.675; 17.804; 5.24 90; 105.98; 90 | 867.731 | Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S. The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 4.31 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9014418 | CIF | Al2 Co0.11 Mg0.89 O4 | F d -3 m :2 | 8.084; 8.084; 8.084 90; 90; 90 | 528.298 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl10 American Mineralogist, 2012, 97, 1834-1840 |
| 9014420 | CIF | As0.264 Cu3 S4 Sb0.736 | I -4 2 m | 5.353; 5.353; 10.652 90; 90; 90 | 305.229 | Pfitzner, A.; Bernert, T. The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3As0.3Sb0.7S4 Zeitschrift fur Kristallographie, 2004, 219, 20-26 |
| 9014422 | CIF | Al0.112 Ca0.02 F1.56 Fe2.47 H0.16 K0.37 Li0.66 Mg1.43 Mn0.26 Na2.61 O22.44 Si7.932 Ti0.14 | C 1 2/m 1 | 9.8297; 17.9257; 5.2969 90; 103.99; 90 | 905.652 | Camara, F.; Hawthorne, F. C.; Ball, N. A.; Bekenova, G.; Stepanov, A. V.; Kotelnikov, P. E. Fluoroleakeite, NaNa2(Mg2Fe3+2Li)Si8O22F2, a new mineral of the amphibole group from the Verkhnee Espe deposit, Akjailyautas Mountains, Eastern Kazakhstan District, Kazakhstan: description and crystal structure Note: a-cell edge corrected by author Mineralogical Magazine, 2010, 74, 521-528 |
| 9014423 | CIF | Pd Sb2 | P a -3 | 6.4584; 6.4584; 6.4584 90; 90; 90 | 269.386 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 9014425 | CIF | Al4 Ca O7 | C 1 2/c 1 | 12.8398; 8.8624; 5.4311 90; 106.83; 90 | 591.542 | Goodwin, D. W.; Lindop, A. J. The crystal structure of CaO.2Al2O3 Acta Crystallographica, Section B, 1970, 26, 1230-1235 |
| 9014427 | CIF | As2 Eu Fe2 | F m m m | 5.5546; 5.4983; 12.059 90; 90; 90 | 368.292 | Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D. Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 10 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5 |
| 9014430 | CIF | Al1.46 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.17; 8.17; 8.17 90; 90; 90 | 545.339 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 189 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014432 | CIF | Cr2 O3 | R -3 c :H | 4.8645; 4.8645; 13.355 90; 90; 120 | 273.685 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 14.0 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014433 | CIF | Al3 Na3 O13.8 Si3 | P n a 21 | 16.426; 15.014; 5.2235 90; 90; 90 | 1288.22 | Hansen, S.; Faelth, L. X-ray study of the nepheline hydrate I structure Zeolites, 1982, 2, 162-166 |
| 9014434 | CIF | Hg I2 | P 42/n m c :2 | 4.359; 4.359; 12.319 90; 90; 90 | 234.072 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 60 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9014436 | CIF | O2 Si | P 41 21 2 | 4.632; 4.632; 6.209 90; 90; 90 | 133.217 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.3 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9014438 | CIF | B H3 Mg3 O6 | P 63/m | 8.924; 8.924; 3.116 90; 90; 120 | 214.905 | Rudnev, V. V.; Chukanov, N. V.; Nechelyustov, G. N.; Yamnova, N. A. Hydroxylborite, Mg3(BO3)(OH)3, a new mineral species and isomorphous series fluoborite-hydroxylborite series Geology of Ore Deposits, 2007, 49, 710-719 |
| 9014439 | CIF | As B Ba O5 | P 31 | 7.2666; 7.2666; 7.1063 90; 90; 120 | 324.965 | Park, C. H.; Bluhm, K. Zur Synthese und Kristallstruktur von Bariumboroarsenat Ba(BAsO5) mit einem Beitrag uber Bariumorthoarsenat Ba3(AsO4)2 Zeitschrift fur Naturforschung B, 1996, 51, 722-726 |
| 9014440 | CIF | C0.722 H1.998 Al2.67 Ca0.09 Na3.91 O15.165 Si3.33 | P 63 | 12.606; 12.606; 5.118 90; 90; 120 | 704.345 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd5 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9014441 | CIF | Fe1.656 H4 Mg0.537 Mn1.854 O9 Si0.953 | P 63 | 5.5472; 5.5472; 14.296 90; 90; 120 | 380.972 | Wahle, M. W.; Bujnowski, T. J.; Guggenheim, S.; Kogure, T. Guidottiite, the Mn-analogue of cronstedtite: A new serpentine-group mineral from South Africa Clays and Clay Minerals, 2010, 58, 364-376 |
| 9014442 | CIF | O6 Ta Ti Tm | P b c n | 14.5706; 5.5339; 5.1832 90; 90; 90 | 417.933 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
| 9014443 | CIF | Ca2.907 O12 Si3 V1.934 | I a -3 d | 12.079; 12.079; 12.079 90; 90; 90 | 1762.35 | Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V. The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R090043 American Mineralogist, 2011, 96, 1278-1290 |
| 9014447 | CIF | Mg O3 Si | P b c a | 17.916; 8.59; 5.0726 90; 90; 90 | 780.665 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.65(7) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9014448 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.5195; 11.5195; 11.5195 90; 90; 90 | 1528.62 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 873.1 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014449 | CIF | Al7.335 B3 Ca0.688 F0.73 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003 | R 3 m :H | 15.8293; 15.8293; 7.1003 90; 90; 120 | 1540.74 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L18, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014450 | CIF | Fe2.38 Mg0.17 O4 Si0.45 | I m m a | 5.8448; 17.9749; 8.3771 90; 90; 90 | 880.096 | Woodland, A. B.; Angel, R. J.; Koch, M. Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8v0095, Spinelloid-II European Journal of Mineralogy, 2012, 24, 657-668 |
| 9014451 | CIF | H0.066 Na1.934 O7 Si2 Zr | P -1 | 6.617; 8.813; 5.426 87.26; 85.68; 71.75 | 299.553 | Pekov, I. V.; Zubkova, N. V.; Pushcharovsky, D. Y.; Kolitsch, U.; Tillmanns, E. Refined crystal structure of parakeldyshite and genetic crystal chemistry of zirconium minerals with [Si2O7] diorthogroups Crystallography Reports, 2007, 52, 1066-1071 |
| 9014452 | CIF | La0.1 Nb2 O6 Sr0.9 | P n m a | 11.018; 7.672; 5.575 90; 90.25; 90 | 471.251 | Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M. Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd] Materials Research Bulletin, 1994, 29, 743-749 |
| 9014453 | CIF | C4 H46 O23 | P m -3 n | 11.821; 11.821; 11.821 90; 90; 90 | 1651.82 | Gutt, C.; Asmussen, B.; Press, W.; Johnson, M. R.; Handa, Y. P.; Tse, J. S. The structure of deuterated methane-hydrate Note: T = 2 K Journal of Chemical Physics, 2000, 113, 4713-4721 |
| 9014454 | CIF | Fe | F m -3 m | 3.551; 3.551; 3.551 90; 90; 90 | 44.777 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 12.71 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014456 | CIF | Al4.8 B3.12 Ca0.62 Fe1.98 H3.6 Mg2.04 Na0.4 O31 Si5.77 Ti0.28 | R 3 m :H | 16; 16; 7.248 90; 90; 120 | 1606.9 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Feruvite 53776 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9014457 | CIF | Al1.61 Fe0.389 Mg0.999 O4 | F d -3 m :2 | 8.1465; 8.1465; 8.1465 90; 90; 90 | 540.646 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 360 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014458 | CIF | Al7.251 B3 Ca0.638 F0.668 Fe0.132 H3.332 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.332 Pb0.006 Si6 Ti0.006 | R 3 m :H | 15.8399; 15.8399; 7.103 90; 90; 120 | 1543.4 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L21, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014459 | CIF | B24 Ca6.16 Ce1.11 Dy0.042 Er0.015 Eu0.057 Gd0.042 H14.6 Ho0.015 La0.663 Na0.84 Nd0.534 O53 Pr0.144 Sm0.144 Tb0.015 Y0.216 | P 6/m | 12.1506; 12.1506; 7.3678 90; 90; 120 | 942.028 | Rowland, C. E.; Cahill, C. L.; Post, J. E. The structure of braitschite, a calcium rare earth borate American Mineralogist, 2011, 96, 197-201 |
| 9014460 | CIF | Ca2.354 F O12 P3 Pb2.646 | P 63/m | 9.6402; 9.6402; 7.0121 90; 90; 120 | 564.353 | Kampf, A. R.; Housley, R. M. Fluorphosphohedyphane, Ca2Pb3(PO4)3F, the first apatite supergroup mineral with essential Pb and F American Mineralogist, 2011, 96, 423-429 |
| 9014462 | CIF | Hg I2 | P 42/n m c :2 | 4.358; 4.358; 12.306 90; 90; 90 | 233.718 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 30 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9014463 | CIF | Mg1.88 O4 Si0.95 | F d -3 m :2 | 8.1279; 8.1279; 8.1279 90; 90; 90 | 536.951 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 685 K American Mineralogist, 2012, 97, 573-582 |
| 9014464 | CIF | Al6 B3 H3 Li1.152 Mn1.848 Na0.754 O31 Si6 | R 3 m :H | 15.9461; 15.9461; 7.138 90; 90; 120 | 1571.87 | Bosi, F.; Skogby, H.; Agrosì G; Scandale, E. Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the split atom model American Mineralogist, 2012, 97, 989-994 |
| 9014465 | CIF | Al1.457 Fe0.541 Mg O4 | F d -3 m :2 | 8.1712; 8.1712; 8.1712 90; 90; 90 | 545.579 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 1533 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014466 | CIF | Ca O3 Sn | P b n m | 5.4952; 5.6486; 7.8561 90; 90; 90 | 243.855 | Zhao, J.; Ross, N. L.; Angel, R. J. Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 1.50 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9014467 | CIF | Al6.41 B3.1 Ca0.04 F0.74 Fe2.53 H1.35 Mg0.06 Na0.88 O30.26 Si5.83 Ti0.07 | R 3 m :H | 15.874; 15.874; 7.196 90; 90; 120 | 1570.34 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Buergerite 43293 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9014471 | CIF | Mg1.94 O4 Si | F d -3 m :2 | 8.0756; 8.0756; 8.0756 90; 90; 90 | 526.653 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 193 K American Mineralogist, 2012, 97, 573-582 |
| 9014472 | CIF | Al3.6 Ca1.76 H19.74 O33.87 Si8.4 | R -3 m :R | 9.401; 9.401; 9.401 94.39; 94.39; 94.39 | 823.139 | Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F. Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Ca-exchanged Zeolites, 1982, 2, 303-309 |
| 9014473 | CIF | Cl6 H10.02 Mg2 O18.02 Pb14 | P m m 2 | 5.8034; 11.3574; 12.9393 90; 90; 90 | 852.849 | Rumsey, M. S.; Krivovichev, S. V.; Siidra, O. I.; Kirk, C. A.; Stanley, C. J.; Spratt, J. Rickturnerite, Pb7O4[Mg(OH)4](OH)Cl3, a complex new lead oxychloride mineral Mineralogical Magazine, 2012, 76, 59-73 |
| 9014474 | CIF | C Fe3 | P b n m | 4.514; 5.078; 6.729 90; 90; 90 | 154.243 | Meinhardt, D.; Krisement, O. Strukturuntersuchungen an Karbiden des Eisens, Wolframs und Chroms mit thermischen Neutronen Archiv fur das Eisenhuettenwesen, 1962, 33, 493-499 |
| 9014475 | CIF | O7 Pb2 V2 | P 1 21/a 1 | 13.3689; 7.1607; 7.1027 90; 105.935; 90 | 653.819 | Shannon, R. D.; Calvo, C. Refinement of the crystal structure of synthetic chervetite, Pb2V2O7 Canadian Journal of Chemistry, 1973, 51, 70-76 |
| 9014476 | CIF | Fe | F m -3 m | 3.595; 3.595; 3.595 90; 90; 90 | 46.462 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 6.81 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014477 | CIF | Al4 Ca2 H10 O21 Si4 | C 1 2/c 1 | 21.5474; 8.75638; 9.30578 90; 91.5524; 90 | 1755.14 | Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: room temperature American Mineralogist, 2012, 97, 1866-1873 |
| 9014478 | CIF | Li Nb3 O8 | P 1 21/c 1 | 7.459; 5.034; 15.27 90; 107.33; 90 | 547.339 | Gatehouse, B. M.; Leverett, P. Lithium triniobate(V), LiNb3O8 Note: isostructural with lithiotantite Crystal Structure Communications, 1972, 1, 83-86 |
| 9014480 | CIF | H12 O10 S Zn | C 1 2/c 1 | 9.981; 7.25; 24.28 90; 98.45; 90 | 1737.88 | Spiess, M.; Gruehn, R. Zur thermischen Dehydratisierung des ZnSO4*7H2O und zum Hochtemperaturverhalten von wasserfreiem ZnSO4 Zeitschrift fur Anorganische und Allgemeine Chemie, 1979, 456, 222-240 |
| 9014481 | CIF | Al4 B4 Ca1.21 Cs0.07 K0.72 Na0.79 O18 Si2 | P 1 21/n 1 | 4.8507; 16.6156; 20.5445 90; 90.245; 90 | 1655.82 | Callegari, A. M.; Boiocchi, M.; Bellatreccia, F.; Caprilli, E.; Medenbach, O.; Cavallo, A. Capranicaite, (K,_)(Ca,Na)Al4B4Si2O18: a new inosilicate from Capranica, Italy, with a peculiar topology of the periodic single chain [Si2O6] Mineralogical Magazine, 2011, 75, 33-43 |
| 9014483 | CIF | Na Nb O3 | P b m a | 5.5625; 15.5495; 5.5138 90; 90; 90 | 476.911 | Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.00 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9014485 | CIF | Bi2 Pb3 S6 | B b m m | 13.353; 20.367; 4.0615 90; 90; 90 | 1104.57 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 1.95 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9014486 | CIF | O2 Si | P 41 21 2 | 4.682; 4.682; 6.311 90; 90; 90 | 138.344 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 5.4 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9014487 | CIF | Al0.22 Ca2.778 Cr0.07 Mn0.129 O12 Si3 V1.62 | I a -3 d | 12.0276; 12.0276; 12.0276 90; 90; 90 | 1739.95 | Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V. The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R061138 American Mineralogist, 2011, 96, 1278-1290 |
| 9014489 | CIF | C H Gd O4 | P 21 21 21 | 7.0755; 4.8739; 8.4471 90; 90; 90 | 291.301 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9014492 | CIF | Ba O3 Ti | A m m 2 | 3.9828; 5.6745; 5.6946 90; 90; 90 | 128.7 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 190 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014494 | CIF | Fe5 Si3 | P 63/m c m | 6.6496; 6.6496; 4.638 90; 90; 120 | 177.604 | Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A. Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 14.4 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9014495 | CIF | Ca3 O25 S2 Si | P 63 | 11.106; 11.106; 10.492 90; 90; 120 | 1120.74 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3231, single crystal Mineralogical Magazine, 2012, 76, 1133-1152 |
| 9014496 | CIF | Al1.36 Fe0.784 H1.478 K Mg2.216 O12 Si2.64 | C 1 2/m 1 | 5.3388; 9.2464; 10.2365 90; 100.037; 90 | 497.588 | Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_5n American Mineralogist, 2010, 95, 1458-1466 |
| 9014497 | CIF | Fe0.18 Li0.76 Mn0.8 O4 P | P b n m | 4.767; 10.403; 6.072 90; 90; 90 | 301.117 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 4, orange The Canadian Mineralogist, 2012, 50, 843-854 |
| 9014498 | CIF | Sm | R -3 m :R | 8.996; 8.996; 8.996 23.22; 23.22; 23.22 | 99.346 | Daane, A. H.; Rundle, R. E.; Smith, H. G.; Spedding, F. H. The crystal structure of samarium Note: sample 99% pure Acta Crystallographica, 1954, 7, 532-535 |
| 9014499 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1478; 8.1478; 8.1478 90; 90; 90 | 540.905 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014500 | CIF | Al2 Ca0.04 H4 O10 Si2 Sr0.96 | P 1 21/m 1 | 5.4194; 13.2737; 5.8575 90; 124.42; 90 | 347.588 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU88 American Mineralogist, 2010, 95, 724-735 |
| 9014501 | CIF | Mg2 O4 Si | I m m a | 5.7391; 11.5134; 8.335 90; 90; 90 | 550.748 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 1084 K American Mineralogist, 2012, 97, 1582-1590 |
| 9014502 | CIF | C3 H2 K2.463 Na1.537 O12 U | P -6 2 c | 9.2507; 9.2507; 8.1788 90; 90; 120 | 606.135 | Plasil, J.; Fejfarova, K.; Skala, R.; Skoda, R.; Meisser, N.; Hlousek, J.; Cisarova, I.; Dusek, M.; Veselovsky, F.; Cejka, J.; Sejkora, J.; Ondrus, P. The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample A Mineralogical Magazine, 2012, 76, 443-453 |
| 9014503 | CIF | C H2 Al Na O5 | I m m a | 6.759; 5.585; 10.425 90; 90; 90 | 393.533 | Corazza, E.; Sabelli, C.; Vannucci, S. Dawsonite: new mineralogical data and structure refinement Neues Jahrbuch fur Mineralogie, Monatshefte, 1977, 1977, 381-397 |
| 9014504 | CIF | As2 Ca H4 O8 | P -1 | 8.558; 7.697; 5.721 92.583; 109.867; 109.983 | 327.494 | Chiari, G.; Ferraris, G. The crystal structure of calcium dihydrogen arsenate, Ca(H2AsO4)2 Atti della Accademia delle Scienze di Torino, Classe di Scienze Fisiche, Matematiche e Naturali, 1971, 105, 725-743 |
| 9014505 | CIF | O3 Ti1.67 | P b c a | 9.781; 9.778; 9.815 90; 90; 90 | 938.693 | Ma, C.; Tschauner, O.; Beckett, J. R.; Rossman, G. R.; Liu, W. Panguite, (Ti4+,Sc,Al,Mg,Zr,Ca)1.8O3, a new ultra-refractory titania mineral from the Allende meteorite: Synchrotron micro-diffraction and EBSD American Mineralogist, 2012, 97, 1219-1225 |
| 9014506 | CIF | Ba0.821 Cu O10 Si4 Sr0.179 | P 4/n c c :2 | 7.41932; 7.41932; 16.0402 90; 90; 90 | 882.954 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .821 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014507 | CIF | H47.64 Mg Na4 O51.82 V10 | P -1 | 9.0425; 11.3303; 11.7353 105.222; 97.377; 100.791 | 1119.46 | Colombo, F.; Baggio, R.; Kampf, A. R. The crystal structure of the elusive huemulite The Canadian Mineralogist, 2011, 49, 849-864 |
| 9014508 | CIF | Al2 Co0.25 Mg0.75 O4 | F d -3 m :2 | 8.0875; 8.0875; 8.0875 90; 90; 90 | 528.984 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl14 American Mineralogist, 2012, 97, 1834-1840 |
| 9014509 | CIF | Al0.68 H0.68 O2 Si0.32 | P b n m | 4.72318; 8.9148; 2.77276 90; 90; 90 | 116.75 | Kanzaki, M. Crystal structure of a new high-pressure polymorph of topaz-OH P = 14 GPa, T = 1400 C American Mineralogist, 2010, 95, 1349-1352 |
| 9014510 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.17; 8.17; 8.17 90; 90; 90 | 545.339 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014511 | CIF | Al2 Co0.76 Mg0.25 O4 | F d -3 m :2 | 8.101; 8.101; 8.101 90; 90; 90 | 531.638 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl67 American Mineralogist, 2012, 97, 1834-1840 |
| 9014512 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4425; 11.4425; 11.4425 90; 90; 90 | 1498.18 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 122.3 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014513 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7504; 4.7504; 9.2549 90; 90; 90 | 208.849 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q3, treated at 750 C for 180 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9014515 | CIF | O6 Pr Ta Ti | P n m a | 10.9511; 7.5288; 5.3829 90; 90; 90 | 443.813 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
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