Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015958 | CIF | Cl H9 Mn8 O24 Si6 | P -3 m 1 | 13.37; 13.37; 7.11 90; 90; 120 | 1100.69 | Kashaev, A. A. The crystal structure of pyrosmalite Soviet Physics Crystallography, 1968, 12, 923-924 |
| 9015959 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.1353; 5.5062; 9.9432 90; 90; 90 | 883.396 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 2.945 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015960 | CIF | C3 H16 Eu0.03 Gd0.08 La0.61 Nd0.95 O17 Pr0.17 Sm0.12 Y0.04 | P c c n | 8.9391; 9.4694; 16.9374 90; 90; 90 | 1433.72 | Morrison, S. M.; Andrade, M. B.; Wenz, M. D.; Domanik, K. J.; Downs, R. T. Lanthanite-(Nd), Nd2(CO3)3*8H2O Acta Crystallographica, Section E, 2013, 69, i15-i16 |
| 9015962 | CIF | C Fe O3 | R -3 c :H | 4.364; 4.364; 12.66 90; 90; 120 | 208.802 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P22, P = 49.2 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015963 | CIF | Al1.88 Ba Fe1.3 H3 Mg0.62 Mn0.08 O15 P3 | P 1 21/m 1 | 9.014; 12.074; 4.926 90; 100.48; 90 | 527.178 | Cooper, M. A.; Hawthorne, F. C. Refinement of the crystal structure of kulanite Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006 The Canadian Mineralogist, 1994, 32, 15-19 |
| 9015964 | CIF | Fe2 O3 | R -3 c :H | 5.0346; 5.0346; 13.7473 90; 90; 120 | 301.771 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015965 | CIF | Cl5 K Pb2 | P 1 21/c 1 | 8.864; 7.932; 12.491 90; 90.153; 90 | 878.23 | Schluter, J.; Pohl, D.; Britvin, S. The new mineral challacolloite, KPb2Cl5, the natural occurrence of a technically known laser material Neues Jahrbuch fur Mineralogie, Abhandlungen, 2005, 182, 95-101 |
| 9015967 | CIF | Cr H2 O2 | P n n m | 4.8623; 4.2972; 2.9567 90; 90; 90 | 61.778 | Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N. Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9 European Journal of Mineralogy, 2012, 24, 839-850 |
| 9015968 | CIF | B Nd O5 Si | P 31 2 1 | 6.8035; 6.8035; 6.6487 90; 90; 120 | 266.521 | Shi, Y.; Liang, J. K.; Zhang, H.; Yang, J. L.; Zhuang, W. D.; Rao, G. H. Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5 Journal of Alloys and Compounds, 1997, 259, 163-169 |
| 9015969 | CIF | C Ca O3 | P m c n | 4.9644; 8.0057; 5.7805 90; 90; 90 | 229.737 | 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 = 218 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015970 | CIF | Al2.73 Ba0.01 H2.86 K0.465 N0.36 Na0.03 O11.236 Si3.128 | C 1 2/c 1 | 9.027; 5.1999; 20.616 90; 100.113; 90 | 952.67 | Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E. Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample musc_4 American Mineralogist, 2012, 97, 1460-1468 |
| 9015971 | CIF | Al1.608 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1477; 8.1477; 8.1477 90; 90; 90 | 540.885 | 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 = 240 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015974 | CIF | Mg39 O120 Si28 | P 1 | 35.02; 9.23; 7.89 112.94; 90; 90 | 2348.62 | Dodony, I.; Posfai, M.; Buseck, P. R. Revised structure models for antigorite: An HRTEM study Note: n = 14 American Mineralogist, 2002, 87, 1443-1457 |
| 9015975 | CIF | Cr O4 Pb | P 1 21/n 1 | 7.127; 7.438; 6.799 90; 102.43; 90 | 351.971 | Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83 |
| 9015977 | CIF | K2 O10 Si3 Ti | P 21 21 21 | 7.1362; 9.9084; 12.9414 90; 90; 90 | 915.065 | Dadachov, M.; Le Bail, A. Structure of zeolitic K2TiSi3O9*(H2O) determined ab initio from powder diffraction data _cod_database_code 1000136 European Journal of Solid State and Inorganic Chemistry, 1997, 34, 381-390 |
| 9015978 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.457; 8.69; 5.113 90; 101.41; 90 | 411.889 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.04 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015979 | CIF | Na Nb O3 | R -3 :H | 5.335; 5.335; 15.611 90; 90; 120 | 384.796 | Kumada, N.; Kinomura, N.; Muto, F. Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~ Journal of the Ceramic Society of Japan, 1990, 98, 384-388 |
| 9015981 | CIF | Ca O8 Ti Zr2.5 | I 41/a c d :2 | 15.2203; 15.2203; 10.1224 90; 90; 90 | 2344.93 | Rossell, H. J. Calzirtite - A fluorite-related superstructure Acta Crystallographica, Section B, 1982, 38, 593-595 |
| 9015983 | CIF | B H O2 | P b n m | 8.019; 9.703; 6.13 90; 90; 90 | 476.965 | Peters, C. R.; Milberg, M. E. The refined structure of orthorhombic metaboric acid Note T = -130 C Acta Crystallographica, 1964, 17, 229-234 |
| 9015984 | CIF | Ca2 Fe2 H O15 Si5 | P -1 | 12.234; 6.707; 7.682 93.97; 111.53; 85.25 | 583.826 | Kosoi, A. L. Structure of babingtonite Kristallografiya, 1975, 20, 730-739 |
| 9015985 | CIF | Fe1.001 Nb0.13 O6 Ta1.869 | P 42/m n m | 4.7509; 4.7509; 9.2811 90; 90; 90 | 209.484 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q3, treated at 600 C for 50 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015986 | CIF | As H6 K O9 U | P 4/n c c :2 | 7.176; 7.176; 18.126 90; 90; 90 | 933.398 | Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O American Mineralogist, 1964, 49, 1578-1602 |
| 9015987 | CIF | Al7.224 B3 Ca0.636 F0.709 Fe0.045 H3.291 Li1.593 Mg0.003 Mn0.135 Na0.282 O30.291 Pb0.02 Si6 Ti0.003 | R 3 m :H | 15.8363; 15.8363; 7.104 90; 90; 120 | 1542.91 | 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: L7, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015988 | CIF | C1.083 H5.48 Mg2 N0.136 O11.376 Si3 | P n c n | 13.271; 27.072; 5.2748 90; 90; 90 | 1895.09 | Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G. Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction Note: Sepiolite with indigo forming Maya Blue European Journal of Mineralogy, 2011, 23, 449-466 |
| 9015989 | CIF | Al2 H4 Mg2 O9 Si | C 1 | 5.299; 9.181; 14.05 90.06; 90.3; 90 | 683.524 | Zheng, H.; Bailey, S. W. Refinement of an amesite-2H1 polytype from Postmasburg, South Africa Note: polytype 2H1 Clays and Clay Minerals, 1997, 45, 301-310 |
| 9015992 | CIF | Ca O3 Sn | P b n m | 5.5043; 5.6558; 7.8687 90; 90; 90 | 244.962 | 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 = 0.738 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015995 | CIF | As Co0.01 Ni0.97 S0.02 | P 63 m c | 3.619; 3.619; 5.036 90; 90; 120 | 57.121 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Sample MP511 Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9015996 | CIF | Al7.308 B3 Ca0.691 F0.679 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003 | R 3 m :H | 15.8303; 15.8303; 7.1017 90; 90; 120 | 1541.24 | 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: L20, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015997 | CIF | C Fe O3 | R -3 c :H | 4.367; 4.367; 12.74 90; 90; 120 | 210.41 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P21, P = 47.49 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015998 | CIF | K Mn2 O24 P5 | P 1 21/a 1 | 14.546; 15.211; 9.86 90; 105.12; 90 | 2106.09 | Schuelke, U.; Averbuch-Pouchot M Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K2Mn4P10O30*18H2O _cod_database_code 1008657 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 545-550 |
| 9016000 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39675; 7.39675; 15.8465 90; 90; 90 | 866.992 | Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 5 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9016003 | CIF | Cl1.45 Pb3.45 S6.55 Sb2.55 | P b a m | 15.194; 23.035; 4.0591 90; 90; 90 | 1420.66 | Doussier, C.; Moelo, Y.; Meerschaut, A.; Leone, P.; Guillot-Deudon C Crystal structure of the new compound Pb3+xSb3 xS7 xCl1+x(x~0.45): The homologous series Pb(2+2N)(Sb,Pb)(2+2N)S(2+2N)(S,Cl)(4+2N)ClN and its polychalcogenide derivatives (N = 1-3) Journal of Solid State Chemistry, 2008, 181, 920-934 |
| 9016004 | CIF | Al1.61 Fe0.391 Mg1.001 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 650 C Annealing time = 189 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016006 | CIF | Ce O6 Ta Ti | P n m a | 10.9694; 7.5288; 5.3829 90; 90; 90 | 444.554 | 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 |
| 9016007 | CIF | Al1.46 Fe0.54 Mg1.002 O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | 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 = 339,180 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016009 | CIF | Fe5 Si3 | P 63/m c m | 6.7108; 6.7108; 4.688 90; 90; 120 | 182.838 | 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 = 5.7 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9016010 | CIF | Cu3 H2 Mo2 O10 | P 1 21/n 1 | 5.3867; 14.001; 5.601 90; 98.535; 90 | 417.745 | Bao, R. L.; Kong, Z. P.; Cu, M.; Yue, B.; Weng, L. H.; He, H. Y. Hydrothermal synthesis and thermal stability of natural mineral lindgrenite Note: atomic coordinates transformed to standard setting Chemical Research in Chinese Universities, 2006, 22, 679-683 |
| 9016012 | CIF | Al2.038 Ba0.01 Ca0.02 Fe0.14 H2 K0.87 Mg0.5 Na0.07 O12 Si3.392 Ti0.01 | C 1 2/c 1 | 5.2112; 9.0383; 19.9473 90; 95.769; 90 | 934.767 | Guven, N. The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 phengite Zeitschrift fur Kristallographie, 1971, 134, 196-212 |
| 9016013 | CIF | Ca2 Fe2 O5 | P n m a | 5.4271; 14.7619; 5.5978 90; 90; 90 | 448.464 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 0.0001 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016016 | CIF | K Sb | P 1 21/c 1 | 5.582; 4.94; 10.255 90; 118.15; 90 | 249.334 | Honle, W.; Schnering, H. G. Zur Struktur von LiP und KSb Zeitschrift fur Kristallographie, 1981, 155, 307-314 |
| 9016017 | CIF | C Ca O3 | P m c n | 4.9731; 8.0384; 5.8236 90; 90; 90 | 232.803 | 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 = 398 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016018 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.324; 14.438; 5.545 90; 90; 90 | 426.233 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 4.511 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016019 | CIF | Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8 | C 1 2/m 1 | 9.841; 18.019; 5.307 90; 105.33; 90 | 907.58 | 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: DL5 P = 0.67 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9016020 | CIF | C Ca O3 | R -3 c :H | 4.9767; 4.9767; 17.361 90; 90; 120 | 372.382 | 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 = 578 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016021 | CIF | Al1.455 Fe0.545 Mg O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | 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 750 C Annealing time = 17,520 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016022 | CIF | C Ca O3 | R -3 c :H | 4.99026; 4.99026; 17.0684 90; 90; 120 | 368.103 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model Powder Diffraction, 2009, 24, 315-326 |
| 9016025 | CIF | Fe | F m -3 m | 3.475; 3.475; 3.475 90; 90; 90 | 41.963 | 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 M622, P = 24.37 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016027 | CIF | As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H12.96 La0.04 Nd0.01 O21 Y0.31 | P 63/m | 15.583; 15.583; 5.895 90; 90; 120 | 1239.7 | Aruga, A.; Nakai, I. Structure of Ca-rich agardite, (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O Acta Crystallographica, Section C, 1985, 41, 161-163 |
| 9016028 | CIF | Mn O2 | P n a m | 9.32; 4.46; 2.85 90; 90; 90 | 118.467 | Kondrashev, Y. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186 |
| 9016029 | CIF | Al1.459 Fe0.54 Mg1.003 O4 | F d -3 m :2 | 8.1705; 8.1705; 8.1705 90; 90; 90 | 545.439 | 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 = 381 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016030 | CIF | Ce0.62 Dy0.02 Er0.01 F0.24 Gd0.02 La0.03 Nd0.06 O1.68 Pr0.01 Sm0.01 Y0.2 Yb0.02 | F m -3 m | 5.4203; 5.4203; 5.4203 90; 90; 90 | 159.247 | Zaitsev, A. N.; Chakhmouradian, A. R.; Siidra, O. I.; Spratt, J.; Williams, C. T.; Stanley, C. J.; Petrov, S. V.; Britvin, S. N.; Polyakova, E. A. Fluorine-, yttrium- and lanthanide-rich cerianite-(Ce) from carbonatitic rocks of the Kerimasi volcano and surrounding explosion craters, Gregory Rift, northern Tanzania Mineralogical Magazine, 2011, 75, 2813-2822 |
| 9016031 | CIF | Cr2.5 Fe2.5 | P 42/m n m | 8.8; 8.8; 4.544 90; 90; 90 | 351.887 | Bergman, G.; Shoemaker, D. P. The determination of the crystal structure of the sigma phase in the iron-chromium and iron-molybdenum systems Acta Crystallographica, 1954, 7, 857-865 |
| 9016033 | CIF | Ca Fe0.05 H4 K4 N2 Na4 O24 S4 | C 1 2/c 1 | 24.902; 5.3323; 17.246 90; 94.281; 90 | 2283.62 | Nestola, F.; Camara, F.; Chukanov, N. V.; Atencio, D.; Coutinho, J. M. V.; Contreira, R. R.; Farber, G. Witzkeite: A new rare nitrate-sulphate mineral from a guano deposit at Punta de Lobos, Chile American Mineralogist, 2012, 97, 1783-1787 |
| 9016034 | CIF | Al2.872 H3 K0.201 N0.78 O12 Si3.128 | C 1 2/c 1 | 9.024; 5.2055; 20.825 90; 99.995; 90 | 963.396 | Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E. Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample tob_7 American Mineralogist, 2012, 97, 1460-1468 |
| 9016035 | CIF | O3.6 Pb0.875 W | P 4/n n c :2 | 7.719; 7.719; 12.018 90; 90; 90 | 716.068 | Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V. Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Journal of Alloys and Compounds, 1996, 238, 46-48 |
| 9016036 | CIF | Al14.648 Fe H Mg0.214 O32 Ti0.78 Zn6.37 | P 63 m c | 5.729; 5.729; 37.097 90; 90; 120 | 1054.45 | Armbruster, T.; Bermanec, V.; Zebec, V.; Oberhansli, R. Titanium and iron poor zincohogbomite-16H, Zn14(Al,Fe3+,Ti,Mg)8Al24O62(OH)2, from Nezilovo, Macedonia: occurence and crystal structure of a new polysome Schweizerische Mineralogische und Petrographische Mitteilungen, 1998, 78, 469-477 |
| 9016037 | CIF | Al7.317 B3 Ca0.695 F0.678 Fe0.057 H3.322 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.322 Pb0.007 Si6 Ti0.003 | R 3 m :H | 15.8299; 15.8299; 7.1009 90; 90; 120 | 1540.99 | 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: L23, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016039 | CIF | C H K O3 | P 1 21/a 1 | 15.115; 5.6044; 3.6609 90; 103.98; 90 | 300.931 | Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K Note z-coordinate of O3 has been modified with a negative sign Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9016041 | CIF | Li O8 Ta3 | C 1 2/c 1 | 9.41; 11.521; 5.0506 90; 91.108; 90 | 547.446 | Santoro, A.; Roth, R. S.; Minor, D. Neutron powder diffraction study of the intermediate-temperature form of lithium tantalate Acta Crystallographica, Section B, 1977, 33, 3945-3947 |
| 9016042 | CIF | Al2 Ca0.82 H4 O10 Si2 Sr0.18 | C m c m | 5.8433; 8.8169; 13.1726 90; 90; 90 | 678.65 | 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 #AU83 American Mineralogist, 2010, 95, 724-735 |
| 9016044 | CIF | Ba Mg2 O7 Si2 | C 1 2/c 1 | 7.24553; 12.71376; 13.74813 90; 90.2107; 90 | 1266.44 | Park, C. H.; Choi, Y. N. Crystal structure of BaMg2Si2O7 and Eu2+ luminescence Journal of Solid State Chemistry, 2009, 182, 1884-1888 |
| 9016046 | CIF | Al9.84 Ca0.84 H12 Mg2.6 Mn6.72 O56 P0.5 Si11.5 | P n m m :2 | 8.6891; 5.7755; 36.9504 90; 90; 90 | 1854.31 | Orlandi, P.; Biagioni, C.; Pasero, M.; Mellini, M. Lavoisierite, Mn2+8[Al10(Mn3+Mg)][Si11P]O44(OH)12, a new mineral from Piedmont, Italy: the link between "ardennite" and sursassite Physics and Chemistry of Minerals, 2013, 40, 239-249 |
| 9016047 | CIF | Ba Er2 O10 Si3 | P 1 21/m 1 | 5.389; 12.163; 6.84 90; 106.47; 90 | 429.941 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9016050 | CIF | Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904 | P 3 1 m | 5.3263; 5.3263; 7.2885 90; 90; 120 | 179.069 | Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: sample Santa Scolastica, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9016051 | CIF | Al1.463 Fe0.535 Mg1.002 O4 | F d -3 m :2 | 8.1704; 8.1704; 8.1704 90; 90; 90 | 545.419 | 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 750 C Annealing time = 6 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016052 | CIF | Mg O3 Si | P b c a | 18.056; 8.692; 5.1192 90; 90; 90 | 803.421 | 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 = 4.19(4) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016053 | CIF | C0.5 Ca3 O25 S1.27 Si | P 63 | 11.07; 11.07; 10.4397 90; 90; 120 | 1107.93 | 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 Zb-01, single crystal Mineralogical Magazine, 2012, 76, 1133-1152 |
| 9016054 | CIF | H1.816 Na0.06 O15.908 Rb1.769 Si6 Zr | C m c a | 14.2999; 14.4408; 14.769 90; 90; 90 | 3049.83 | Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V. Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Note: Rb-exchanged at 150 deg C Crystallography Reports, 2011, 56, 832-841 |
| 9016056 | CIF | Cd Se | P 63 m c | 4.299; 4.299; 7.01 90; 90; 120 | 112.198 | Freeman, D. K.; Mair, S. L.; Barnea, Z. The structure and Bijvoet ratios of cadmium selenide Acta Crystallographica, Section A, 1977, 33, 355-359 |
| 9016057 | CIF | Cu O | C 1 c 1 | 4.6893; 3.4268; 5.1321 90; 99.653; 90 | 81.302 | Asbrink, S.; Waskowska, A. CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = 196 K Journal of Physics: Condensed Matter, 1991, 3, 8173-8180 |
| 9016060 | CIF | Al7.239 B3 Ca0.487 F0.708 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003 | R 3 m :H | 15.8636; 15.8636; 7.1119 90; 90; 120 | 1549.96 | 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: L1, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016061 | CIF | Cu H2 O20 Pb6 Te4 | P 1 21/n 1 | 7.8552; 10.4836; 11.0426 90; 95.547; 90 | 905.108 | Kampf, A. R.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: II. Housleyite, Pb6CuTe4O18(OH)2, a new mineral with Cu-Te octahedral sheets American Mineralogist, 2010, 95, 1337-1342 |
| 9016063 | CIF | As0.66 O14 P1.34 Pb3 Te Zn3 | P 3 2 1 | 8.3942; 8.3942; 5.1847 90; 90; 120 | 316.383 | Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M. The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 American Mineralogist, 2010, 95, 933-938 |
| 9016066 | CIF | Fe15.18 H0.5 K1.72 Na4.42 O50 P12 | C 1 2/c 1 | 16.53; 10.084; 24.64 90; 105.75; 90 | 3953 | Yakubovich, O. V.; Matviyenko, Y. N.; Simonov, M. A.; Melnikov, O. K. The crystalline structure of synthetic Fe3±arrojadites with the idealized formula K2Na5Fe2+14Fe3+(PO4)12(OH)2 Note: the number of errors and/or typos in this paper is large Vestnik Moskovskogo Universiteta Geologiya, 1986, 41, 36-47 |
| 9016067 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.448; 8.67; 5.101 90; 101.19; 90 | 409.901 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.48 GPa American Mineralogist, 2009, 94, 616-621 |
| 9016068 | CIF | Ca3.46 O69.98 Si24 | I m m a | 20.082; 23.613; 12.709 90; 90; 90 | 6026.56 | 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 = 2.5 GPa Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256 |
| 9016069 | CIF | Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8 | C 1 2/m 1 | 9.685; 17.794; 5.242 90; 105.94; 90 | 868.644 | 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: DL5 P = 5.42 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9016070 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8284; 7.5995; 9.631 90; 90.18; 90 | 353.393 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 100 K American Mineralogist, 2010, 95, 1413-1421 |
| 9016071 | CIF | C Ca O3 | P m c n | 4.9778; 8.0528; 5.8462 90; 90; 90 | 234.346 | 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 = 477 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016072 | CIF | Al0.94 Cr0.06 Nb O4 | C 1 2/m 1 | 12.162; 3.7454; 6.491 90; 107.64; 90 | 281.772 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N06 American Mineralogist, 2012, 97, 910-917 |
| 9016073 | CIF | Al0.706 Ca0.154 H3.27 Na0.592 O5.635 Si1.294 | P m n b | 10.1035; 9.7819; 10.1523 90; 90; 90 | 1003.37 | Gatta, G. D.; Birch, W. D.; Rotiroti, N. Reinvestigation of the crystal structure of the zeolite gobbinsite: a single-crystal x-ray diffraction study American Mineralogist, 2010, 95, 481-486 |
| 9016074 | CIF | Ag17.742 As3.552 S15 Sb0.448 | P -3 m 1 | 7.5984; 7.5984; 15.557 90; 90; 120 | 777.859 | Bindi, L.; Menchetti, S. Fast ion conduction character and ionic phase-transition in silver sulfosalts: The case of fettelite [Ag6As2S7][Ag10HgAs2S8] Note: T = 400 K American Mineralogist, 2011, 96, 792-796 |
| 9016076 | CIF | Al1.46 Fe0.539 Mg1.001 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 = 6141 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016077 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7554; 4.7554; 9.2281 90; 90; 90 | 208.683 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim5_q1, treated at 750 C for 30 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016078 | CIF | N O12 P4 Pr | C 1 2/c 1 | 7.916; 12.647; 10.672 90; 110.34; 90 | 1001.79 | Masse, R.; Guitel, J. C.; Durif, A. Structure cristalline du tetrametaphosphate de praseodyme-ammonium, PrN H4 P4 O12. Donnees cristallographiques de Pr N H4 P4 O12 Acta Crystallographica, Section B, 1977, 33, 630-632 |
| 9016079 | CIF | As0.54 Cl Cu4 O6 V0.46 | P b c m | 5.44; 11.154; 10.333 90; 90; 90 | 626.983 | Starova, G. L.; Krivovichev, S. V.; Filatov, S. K. Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra II. Crystal structure of Cu~4~O~2~[(As,V)O~4~]Cl Zeitschrift für Kristallographie, 1998, 213, 650-653 |
| 9016080 | CIF | Ba0.295 O4 Ti1.3 V0.7 | I 4/m | 10.139; 10.139; 2.961 90; 90; 90 | 304.389 | Shi, N.; Ma, Z.; Liu, W. Crystal structure determination of ankangite with one dimensional incommensurate modulation Acta Petrologica et Mineralogica, 1991, 10, 233-245 |
| 9016082 | CIF | C Fe O3 | R -3 c :H | 4.65; 4.65; 15.12 90; 90; 120 | 283.132 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P3, P = 4.89 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016083 | CIF | Al5.47 B3.17 Ca0.18 Fe1.67 H3.6 Mg1.86 Na0.77 O31 Si5.78 Ti0.05 | R 3 m :H | 15.96; 15.96; 7.238 90; 90; 120 | 1596.67 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43167 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016084 | CIF | Ba O3 Ti | A m m 2 | 3.9841; 5.6741; 5.6916 90; 90; 90 | 128.665 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 230 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016086 | CIF | Al Cu F H5 O4 | C 1 2/m 1 | 12.346; 2.907; 10.369 90; 97.9; 90 | 368.61 | Hager, S. L.; Leverett, P.; Williams, P. A. Possible structural and chemical relationships in the cyanotrichite group The Canadian Mineralogist, 2009, 47, 635-648 |
| 9016089 | CIF | C H O4 Tb | P 21 21 21 | 7.0256; 4.8577; 8.4657 90; 90; 90 | 288.92 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016090 | CIF | Al1.609 Fe0.39 Mg1.001 O4 | F d -3 m :2 | 8.1476; 8.1476; 8.1476 90; 90; 90 | 540.865 | 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 = 17,520 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016091 | CIF | Al2 Be3 H2 O19 Si6 | P 6/m c c | 9.213; 9.213; 9.206 90; 90; 120 | 676.712 | Gibbs, G. V.; Breck, D. W.; Meagher, E. P. Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: hydrous beryl Lithos, 1968, 1, 275-285 |
| 9016092 | CIF | Fe3.797 H12 Mg1.203 Na0.365 O24 P4 | C 2 2 21 | 12.7997; 17.9081; 8.2112 90; 90; 90 | 1882.16 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V. Angarfite, NaFe3+5(PO4)4(OH)4*4H2O, a new mineral species from the Angarf-Sud pegmatite, Morocco: description and crystal structure The Canadian Mineralogist, 2012, 50, 781-791 |
| 9016095 | CIF | As S | P 1 21/n 1 | 8.873; 12.789; 6.251 90; 107; 90 | 678.349 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 3.53 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9016096 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | 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 = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016097 | CIF | H10 Mn8 O25 Si6 | P -3 m 1 | 13.42; 13.42; 7.159 90; 90; 120 | 1116.57 | Takeuchi, Y.; Kawada, I.; Irimaziri, S.; Sadanaga, R. The crystal structure and polytypism of manganpyrosmalite Mineralogical Journal, 1969, 5, 450-467 |
| 9016099 | CIF | D4 Na3 O10 Si Ti2 | P 42/m c m | 7.8099; 7.8099; 11.956 90; 90; 90 | 729.251 | Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 298 K with neutron Chemistry of Materials, 2010, 22, 4222-4231 |
| 9016100 | CIF | Ca3 O7 Si2 | I 2 c m | 11.4525; 5.0867; 21.9963 90; 90; 90 | 1281.4 | Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M. Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus American Mineralogist, 2012, 97, 503-512 |
| 9016101 | CIF | Al9.024 B6.288 Ca0.12 F0.69 Fe0.18 H6.31 Li1.38 Mn0.858 Na0.76 O42.31 Si5.712 Ti0.018 | R 3 m :H | 15.843; 15.843; 7.1051 90; 90; 120 | 1544.46 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLP1 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9016102 | CIF | Al2.964 H6.159 K0.876 Na0.071 O14.053 S2 | R -3 m :H | 6.9749; 6.9749; 17.315 90; 90; 120 | 729.506 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 25 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016105 | CIF | Cu O | C 1 2/c 1 | 4.6833; 3.4208; 5.1294 90; 99.567; 90 | 81.033 | Brese, N. E.; O'Keeffe M; Ramakrishna, B. L.; von Dreele, R. B. Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO Note: T = 11 K Journal of Solid State Chemistry, 1990, 89, 184-190 |
| 9016106 | CIF | O0.18 Pb13.44 S36 Sb15.56 | C 1 2/m 1 | 48.19; 4.11; 34.24 90; 106.059; 90 | 6516.97 | Topa, D.; Sejkora, J.; Makovicky, E.; Prsek, J.; Ozdin, D.; Putz, H.; Dittrich, H.; Karup-Moller S Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from the Low Tatra Mountains, Western Carpathians, Slovakia European Journal of Mineralogy, 2012, 24, 727-740 |
| 9016109 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39482; 7.39482; 15.8504 90; 90; 90 | 866.753 | Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9016110 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.8986; 8.4008; 5.4016 90; 110.648; 90 | 420.323 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LA2n_L_tr American Mineralogist, 2012, 97, 1213-1218 |
| 9016111 | CIF | Mg1.84 O4 Si0.98 | F d -3 m :2 | 8.1031; 8.1031; 8.1031 90; 90; 90 | 532.051 | 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: at room T after heating to T = 685 K, split Si model American Mineralogist, 2012, 97, 573-582 |
| 9016112 | CIF | Be O | P 63 m c | 2.7109; 2.7109; 4.3999 90; 90; 120 | 28.003 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 963 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9016113 | CIF | Al2.5 Ca0.798 H5.698 Na0.676 O12.849 Si2.5 | P b m n | 13.0603; 13.0456; 6.5981 90; 90; 90 | 1124.18 | Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M. Crystal structure and low-temperature behavior of "disordered" thomsonite T = 98.0 K American Mineralogist, 2010, 95, 495-502 |
| 9016115 | CIF | Ca2 O12 Pb Si3 Zn3 | P 1 21/n 1 | 8.7889; 8.2685; 15.2535 90; 90.05; 90 | 1108.49 | Tait, K. T.; Yang, H.; Downs, R. T.; Li, C.; Pinch, W. W. The crystal structure of esperite, with a revised chemical formula, PbCa2(ZnSiO4)3, isostructural with beryllonite American Mineralogist, 2010, 95, 699-705 |
| 9016116 | CIF | Mg0.6 Mn1.4 O4 Si | P n m a | 10.52411; 6.17903; 4.83927 90; 90; 90 | 314.692 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9016118 | CIF | O7 P V | P 1 21/c 1 | 7.613; 7.431; 9.482 90; 95.44; 90 | 534.002 | Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Portier D Structure of vanadyl hydrogenphosphate dihydrate alpha-VO(HPO4)*2H2O solved from X-ray and neutron powder diffraction _cod_database_code 1000083 European Journal of Solid State and Inorganic Chemistry, 1989, 26, 419-426 |
| 9016119 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7551; 4.7551; 9.281 90; 90; 90 | 209.852 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9016121 | CIF | Ag0.997 Au0.001 Bi0.003 Sb0.002 | F m -3 m | 4.077; 4.077; 4.077 90; 90; 90 | 67.768 | Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V. Native silver and its new structural modifications Note: Sample DV-260 International Geology Review, 1981, 23, 485-494 |
| 9016123 | CIF | As2 H10 Mn3 O14 | P 1 | 5.5828; 9.766; 5.5455 94.467; 111.348; 93.85 | 279.26 | Callegari, A. M.; Boiocchi, M.; Ciriotti, M. E.; Balestra, C. Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate: crystal structure and relationships with bermanite and whitmoreite mineral groups American Mineralogist, 2012, 97, 727-734 |
| 9016124 | CIF | As2 H14 Mg0.4 Ni0.6 O17 U2 | C 1 2/m 1 | 17.91; 6.985; 6.594 90; 99.89; 90 | 812.659 | Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Chukanov, N. V.; Bryzgalov, I. A.; Zadov, A. E. New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: II. Dymkovite, Ni(UO2)2(As3+O3)2*7H2O, a seelite-related arsenite European Journal of Mineralogy, 2012, 24, 923-930 |
| 9016125 | CIF | Ca3 O5 Si | P -1 | 11.6389; 14.1716; 13.6434 104.982; 94.622; 90.107 | 2166.2 | De la Torre, A. G.; De Vera, R. N.; Cuberos, A. J. M.; Aranda, M. A. G. Crystal structure of low magnesium-content alite: application to Rietveld quantitative phase analysis Cement and Concrete Research, 2008, 38, 1261-1269 |
| 9016126 | CIF | La0.17 Na1.5 Nb2 O6 | P b c m | 5.5189; 5.5458; 15.6313 90; 90; 90 | 478.423 | Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .5, La.17Na1.5Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9016127 | CIF | Al Cl3 O6 | R -3 c :R | 7.85; 7.85; 7.85 97; 97; 97 | 471.94 | Andress, K.; Carpenter, C. Kristallhydrate. II.Die Struktur von Chromchlorid- und Aluminiumchloridhexahydrat _cod_database_code 1011008 Zeitschrift fur Kristallographie, 1934, 87, 446-463 |
| 9016129 | CIF | Ca2 O4 Si | P b n m | 5.074; 11.211; 6.753 90; 90; 90 | 384.142 | Zadov, A. E.; Gazeev, V. M.; Pertsev, N. N.; Gurbanov, A. G.; Gobechiya, E. R.; Yamnova, N. A.; Chukanov, N. V. Calcioolivine, gamma-Ca2SiO4, an old and new mineral species Kabarda-Balkaria Republic, Russia Geology of Ore Deposits, 2009, 51, 741-749 |
| 9016130 | CIF | As2 Pt | P a -3 | 5.9665; 5.9665; 5.9665 90; 90; 90 | 212.402 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9016131 | CIF | C Na1.959 O3 | C 1 2/m 1 | 8.851; 5.24; 6.021 90; 101.08; 90 | 274.044 | Arakcheeva, A.; Bindi, L.; Pattison, P.; Meisser, N.; Chapuis, G.; Pekov, I. The incommensurately modulated structures of natural natrite at 120 and 293 K from synchrotron X-ray data T = 293 K American Mineralogist, 2010, 95, 574-581 |
| 9016133 | CIF | As S | P 1 21/n 1 | 9.164; 13.227; 6.47 90; 106.56; 90 | 751.714 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0.89 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9016134 | CIF | Fe Si2 | P 4/m m m | 2.684; 2.684; 5.128 90; 90; 90 | 36.941 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9016135 | CIF | B H O2 | P 1 21/a 1 | 7.127; 8.842; 6.773 90; 93.21; 90 | 426.144 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Clinometaborite, natural beta-metaboric acid, from La Fossa Crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2011, 49, 1273-1279 |
| 9016136 | CIF | B O8 P Th2 | P 1 21/c 1 | 8.4665; 7.9552; 8.2297 90; 103.746; 90 | 538.417 | Lipp, C.; Burns, P. C. Th2[BO4][PO4]: a rare example of an actinide borate-phosphate The Canadian Mineralogist, 2011, 49, 1211-1220 |
| 9016137 | CIF | Ba Be2 O7 Si2 | P m 1 1 | 11.618; 4.904; 4.655 89.94; 90; 90 | 265.217 | Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structure and microtwinning of a new mineral clinobarylite, BaBe2Si2O7 Doklady Akademii Nauk, 2003, 388, 205-207 |
| 9016138 | CIF | Mg1.88 O4 Si0.98 | F d -3 m :2 | 8.1084; 8.1084; 8.1084 90; 90; 90 | 533.096 | 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 = 586 K American Mineralogist, 2012, 97, 573-582 |
| 9016139 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.7838; 9.1349; 5.1929 90; 101.75; 90 | 454.385 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 50 K American Mineralogist, 2012, 97, 694-706 |
| 9016140 | CIF | Al2 Fe H4 O10 Si2 | C c c b :1 | 13.77; 20.18; 5.109 90; 90; 90 | 1419.68 | MacGillavry, C. H.; Korst, W. L.; Weichel Moore, E. J.; van der Plas, H. J. The crystal structure of ferrocarpholite Acta Crystallographica, 1956, 9, 773-776 |
| 9016141 | CIF | Ca3 F3 K2.44 Mg3 Na6.56 O36 S9 | P 63/m c m | 16.6682; 16.6682; 6.9007 90; 90; 120 | 1660.36 | Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Ksenofontov, D. A.; Kabalov, Y. K.; Chukanov, N. V.; Yapaskurt, V. O.; Zadov, A. E.; Pushcharovsky, D. Y. Krasheninnikovite, KNa2CaMg(SO4)3F, a new mineral from the Tolbachik volcano, Kamchatka, Russia American Mineralogist, 2012, 97, 1788-1795 |
| 9016142 | CIF | Na2 O11 P Te | P 63 | 5.908; 5.908; 15.09 90; 90; 120 | 456.143 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O) Acta Crystallographica, Section B, 1979, 35, 1444-1447 |
| 9016143 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7507; 4.7507; 9.2794 90; 90; 90 | 209.428 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q6, treated at 650 C for 15 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016145 | CIF | Ag7.998 S3.897 Sn Te2.103 | F -4 3 m | 11.0003; 11.0003; 11.0003 90; 90; 90 | 1331.11 | Bindi, L.; Nestola, F.; Guastoni, A.; Zorzi, F.; Peruzzo, L.; Raber, T. Te-rich canfieldite, Ag8Sn(S,Te)6, from Lengenbach Quarry, Binntal, Canton Valais, Switzerland: Occurrence, description and crystal structure The Canadian Mineralogist, 2012, 50, 111-118 |
| 9016146 | CIF | C Ca O3 | P m c n | 4.9576; 7.9835; 5.7503 90; 90; 90 | 227.591 | 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 = 70 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016147 | CIF | Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882 | P 3 1 m | 5.3261; 5.3261; 7.273 90; 90; 120 | 178.675 | Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 2, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9016148 | CIF | H30 Na3 O43 V10 | P 1 21/n 1 | 12.0627; 17.1745; 18.2094 90; 106.34; 90 | 3620.08 | Duraisamy, T.; Ramanan, A.; Vittal, J. J. Novel self-assembled decavanadate clusters forming 1D molecular chains and 2D molecular arrays: [HMTA-H...H2O][HMTA-CH2OH][H3V10O28{Na(H2O)4}]*4H2O and [Na2(H2O)10] [H3V10O28 {Na(H2O)2}]*3H2O Crystal Engineering, 2000, 3, 237-250 |
| 9016149 | CIF | Br2 Co | P -3 m 1 | 3.728; 3.728; 6.169 90; 90; 120 | 74.25 | Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C. Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2 Physical Review, 1959, 113, 497-507 |
| 9016150 | CIF | Cl O2 Pb1.5 Te0.5 | B m m b | 5.5649; 5.5565; 12.475 90; 90; 90 | 385.744 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: VI. Telluroperite, Pb3Te4+O4Cl2, the Te analog of perite and nadorite American Mineralogist, 2010, 95, 1569-1573 |
| 9016151 | CIF | C Ca O3 | P m c n | 4.9683; 8.0196; 5.7989 90; 90; 90 | 231.05 | 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 = 297 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016152 | CIF | Ba O3 Ti | R 3 m :R | 4.0042; 4.0042; 4.0042 89.837; 89.837; 89.837 | 64.201 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 70 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016153 | CIF | Mg O3 Si | P b c a | 18.105; 8.734; 5.1376 90; 90; 90 | 812.404 | 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 = 2.69(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016154 | CIF | C Fe O3 | R -3 c :H | 4.3474; 4.3474; 12.534 90; 90; 120 | 205.154 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P27-1, P = 55.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016155 | CIF | D4 Na O9 Si Ti2 | P 42/m c m | 7.88; 7.88; 11.953 90; 90; 90 | 742.214 | Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 20 K with neutron Chemistry of Materials, 2010, 22, 4222-4231 |
| 9016156 | CIF | Al4 Ca2 O17 Si4 | C 1 2/c 1 | 20.82; 9.35; 8.359 90; 78.86; 90 | 1596.56 | Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 275 C American Mineralogist, 2012, 97, 1866-1873 |
| 9016157 | CIF | Al0.55 Ca2 Fe1.45 O5 | I 2 m b | 5.361; 14.5523; 5.5958 90; 90; 90 | 436.556 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 1.49 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016160 | CIF | Cu3 H6 O11 V2 | C 1 2/m 1 | 10.61; 5.866; 7.208 90; 95.04; 90 | 446.879 | Basso, R.; Palenzona, A.; Zefiro, L. Crystal structure refinement of volborthite from Scrava mine (Eastern Liguria, Italy) Note: split O1 and O5 atoms Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 385-394 |
| 9016161 | CIF | C0.118 H3.224 Cr0.23 Mg0.77 O2.966 | R -3 m :H | 3.09552; 3.09552; 23.5042 90; 90; 120 | 195.049 | Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A. The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: 3R1 polytype of stichtite American Mineralogist, 2011, 96, 179-187 |
| 9016162 | CIF | As Cu H3 O5 | P -1 | 6.433; 8.093; 15.764 86.65; 84.35; 84.47 | 811.928 | Prencipe, M.; Pushcharovsky, D. Y.; Sarp, H.; Ferraris, G. Comparative crystal chemistry of geminite Cu[AsO3OH]H2O and related minerals Moscow University Geology Bulletin, 1996, 51, 51-58 |
| 9016163 | CIF | F0.24 H1.32 Mg4.7 O9.76 Si2 Ti0.3 | P 1 21/c 1 | 7.88; 4.726; 10.29 90; 109.04; 90 | 362.244 | Pekov, I. V.; Gerasimova, E. I.; Chukanov, N. V.; Kabalov, Y. K.; Zubkova, N. V.; Zadov, A. E.; Yapaskurt, V. O.; Gekimyants, V. M.; Pushcharovskii, D. Y. Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group and its crystal structure Doklady Akademii Nauk, 2011, 436, 526-532 |
| 9016164 | CIF | Al Be3 Ca4 H3 O28 Si9 | C m c m | 23.1965; 4.9741; 19.4221 90; 90; 90 | 2240.96 | Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T. Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals American Mineralogist, 2010, 95, 519-526 |
| 9016165 | CIF | Al2 Co O4 | F d -3 m :2 | 8.1047; 8.1047; 8.1047 90; 90; 90 | 532.367 | 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: CoAl100 American Mineralogist, 2012, 97, 1834-1840 |
| 9016167 | CIF | Ca Fe2 H16 Mg0.464 Mn O25 P4 Zn2.036 | P 1 21/c 1 | 6.3868; 21.26; 15.365 90; 90.564; 90 | 2086.21 | Kampf, A. R.; Mills, S. J.; Simmons, W. B.; Nizamoff, J. W.; Whitmore, R. W. Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire American Mineralogist, 2012, 97, 496-502 |
| 9016168 | CIF | N2 O13 P4 Si | P -1 | 15.14; 7.684; 4.861 97.86; 96.74; 83.89 | 553.971 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structure cristalline de (N H4)2 Si P4 O13: un nouvel exemple de silicium hexacoordine Acta Crystallographica, Section B, 1976, 32, 2957-2960 |
| 9016169 | CIF | Bi0.75 Pb0.125 Pt0.125 S0.796 Se0.026 | F m -3 m | 5.86; 5.865; 5.86 90; 90; 90 | 201.402 | Cook, N. J.; Wood, S. A.; Gebert, W.; Bernhardt, H. J.; Medenbach, O. Crerarite, a new Pt-Bi-Pb-S mineral from the Cu-Ni-PGE deposit at Lac Sheen, Abitibi-Temiscaminque, Quebec, Canada Neues Jahrbuch fur Mineralogie, Monatshefte, 1994, 1994, 567-575 |
| 9016171 | CIF | C O6 Pb2 S2 | P n m a | 16.343; 8.76; 4.592 90; 90; 90 | 657.412 | Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F. Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-02 Mineralogical Magazine, 2011, 75, 2721-2732 |
| 9016172 | CIF | Ag0.507 Au1.49 Te4 | P m a 2 | 16.59; 8.867; 4.4886 90; 90; 90 | 660.289 | Dye, M. D.; Smyth, J. R. The crystal structure and genesis of krennerite, Au3AgTe8 The Canadian Mineralogist, 2012, 50, 119-127 |
| 9016173 | CIF | Na Nb O3 | P 2 2 21 | 5.504; 5.568; 15.52 90; 90; 90 | 475.63 | Vousden, P. The structure of ferroelectric sodium niobate at room temperature Note: this is a possible polymorph of lueshite Acta Crystallographica, 1951, 4, 545-551 |
| 9016174 | CIF | Al3.42 B3 Ca0.01 Fe3.828 H3.6 Mg1.269 Na0.99 O31 Si6 Ti0.402 V0.021 | R 3 m :H | 16.073; 16.073; 7.306 90; 90; 120 | 1634.57 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Schorl 2672 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016175 | CIF | Al1.61 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1481; 8.1481; 8.1481 90; 90; 90 | 540.965 | 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 650 C Annealing time = 46,161 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016176 | CIF | Al7.257 B3 Ca0.696 F0.668 Fe0.03 H3.332 Li1.68 Mn0.033 Na0.228 O30.332 Pb0.01 Si6 | R 3 m :H | 15.8248; 15.8248; 7.0993 90; 90; 120 | 1539.65 | 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: L15, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016177 | CIF | As1.079 H6.74 O7.87 Zn2 | P 1 21/c 1 | 11.793; 9.1138; 6.8265 90; 103.859; 90 | 712.346 | Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Hawthorne, F. C.; Back, M. E.; Tait, K. T.; Schluter, J.; Malcherek, T.; Pohl, D.; Gebhard, G. Ianbruceite, ideally [Zn2(OH)(H2O)(AsO4)](H2O)2, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure Mineralogical Magazine, 2012, 76, 1119-1131 |
| 9016179 | CIF | C Ca O3 | R -3 c :H | 4.976; 4.976; 17.227 90; 90; 120 | 369.404 | 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 = 337 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016180 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.2004; 5.5529; 10.0423 90; 90; 90 | 903.397 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = .0001 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9016181 | CIF | C0.49 Na4 O7.51 S1.51 | P m n m :2 | 5.198; 9.255; 7.085 90; 90; 90 | 340.842 | Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of synthetic burkeite Sample C Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221 |
| 9016182 | CIF | C Fe3 | P b n m | 4.5144; 5.0787; 6.7297 90; 90; 90 | 154.294 | Lipson, H.; Petch, N. J. The crystal structure of cementite, Fe3C The Journal of the Iron and Steel Institute, 1940, 142, 95-103 |
| 9016184 | CIF | Fe | F m -3 m | 3.504; 3.504; 3.504 90; 90; 90 | 43.022 | 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 = 20.64 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016186 | CIF | Al2 Ge H2 O6 | P n m a | 9.107; 8.551; 4.804 90; 90; 90 | 374.106 | Marler, B.; Wunder, B. Crystal structure of dialuminium dihydroxogermanate, Al~2~GeO~4~(OH)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 1998, 213, 3-3 |
| 9016187 | CIF | Fe5 Si3 | P 63/m c m | 6.7031; 6.7031; 4.676 90; 90; 120 | 181.952 | 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 = 7.5 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9016189 | CIF | Ca O3 Sn | P b n m | 5.4448; 5.60887; 7.78906 90; 90; 90 | 237.871 | 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 = 5.98 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9016190 | CIF | Ti | P 63/m m c | 2.95; 2.95; 4.68 90; 90; 120 | 35.271 | Glavatskikh, S. F.; Gorshkov, A. I. Natural analog of alpha-titanium in the exhalation products of the Great Tolbachik Fissure Eruption (Kamchatka) Doklady Akademii Nauk SSSR, 1992, 327, 123-127 |
| 9016195 | CIF | Co1.5 Cs H4 O26 Se2 U4 | C 1 2/c 1 | 8.744; 14.38; 17.901 90; 103.654; 90 | 2187.24 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 2 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9016197 | CIF | O6 P Rb V | P b c a | 6.8182; 9.291; 17.631 90; 90; 90 | 1116.89 | Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G. Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000081 European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607 |
| 9016199 | CIF | Al2.09 Ca2 Fe0.91 H O13 Si3 | P 1 21/m 1 | 8.8902; 5.6366; 10.16 90; 115.432; 90 | 459.786 | Nagashima, M.; Akasada, M. X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=1.0, run 41 American Mineralogist, 2010, 95, 1237-1246 |
| 9016200 | CIF | C Ca O3 | R -3 c :H | 4.9757; 4.9757; 17.273 90; 90; 120 | 370.345 | 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 = 434 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016202 | CIF | Ba Gd2 O10 Si3 | P 1 21/m 1 | 5.435; 12.241; 6.932 90; 106.26; 90 | 442.738 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9016203 | CIF | As2.889 Ca2.01 Mg0.304 Mn1.696 Na0.99 O12 | I a -3 d | 12.4929; 12.4929; 12.4929 90; 90; 90 | 1949.8 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
| 9016204 | CIF | H O5 P Zn2 | P -1 | 5.499; 5.654; 6.465 102.85; 102.77; 86.83 | 191.12 | Fanfani, L.; Zanazzi, P. F. Dati strutturali sulla tarbuttite Periodico di Mineralogia, 1965, 34, 539-545 |
| 9016206 | CIF | B11 H7 O22 Sr2 | P 1 21 1 | 6.7; 20.8; 6.6 90; 119.25; 90 | 802.501 | Rumanova, I. M.; Gandymov, O. The crystal structure of the natural strontium borate, p-veatchite, Sr2[B5O8(OH)]2*B(OH)3*H2O Note: polytype veatchite-1M, formally known as veatchite-p Soviet Physics Crystallography, 1971, 16, 75-81 |
| 9016209 | CIF | C2 H2 Ba0.09 Ca0.19 Ce0.11 Dy0.02 Er0.01 Gd0.02 La0.09 Na0.5 O7 Pr0.01 Sr0.71 Y0.24 Yb0.01 | R 3 m :H | 5.211; 5.211; 18.357 90; 90; 120 | 431.692 | Tjy, C. T. L.; Pobedimskaya, E. A.; Nadezhina, T. N.; Khomyakov, A. P. Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O Moscow University Geology Bulletin, 1992, 47, 60-70 |
| 9016211 | CIF | As0.404 O14 P1.594 Pb3 Te Zn3 | P 3 2 1 | 8.392; 8.392; 5.204 90; 90; 120 | 317.394 | Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M. The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 American Mineralogist, 2010, 95, 933-938 |
| 9016212 | CIF | Fe1.1 Mg0.75 Mn0.15 O4 Si | P b n m | 4.798; 10.39; 6.055 90; 90; 90 | 301.849 | Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 23 C, P = 1 atm , Evacuated silica capillary American Mineralogist, 1977, 62, 286-295 |
| 9016213 | CIF | Cr2 O3 | R -3 c :H | 4.953; 4.953; 13.5884 90; 90; 120 | 288.693 | 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 = 0 GPa, data from Ovsyannikov and Dubrovinsky (2011) American Mineralogist, 2012, 97, 1764-1770 |
| 9016214 | CIF | Pb10.15 S22 Sb7.85 | P 1 21/a 1 | 21.554; 23.454; 8.079 90; 100.76; 90 | 4012.35 | Ventruti, G.; Stasi, F.; Pinto, D.; Vurro, F.; Renna, M. The plumose boulangerite from Bottino, Apuan Alps, Italy: Crystal structure, OD character and twinning Note: MDO1 polytype The Canadian Mineralogist, 2012, 50, 181-199 |
| 9016215 | CIF | C Ca O3 | P b n m | 4.13; 7.15; 8.48 90; 90; 90 | 250.41 | Meyer, H. J. Uber Vaterit und seine Struktur Angewandte Chemie, 1959, 71, 678-679 |
| 9016216 | CIF | Al7.767 B3 F0.57 H6 Mn1.233 Na0.666 O30.43 Si6 | R 3 m :H | 15.951; 15.951; 7.138 90; 90; 120 | 1572.83 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3 American Mineralogist, 2012, 97, 1402-1416 |
| 9016218 | CIF | Al0.04 As2.16 Ba0.468 Fe3.96 H9.04 K0.039 Na0.021 O18.52 P0.84 | P -4 3 m | 7.942; 7.942; 7.942 90; 90; 90 | 500.945 | Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D. The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite Note: sample Bariopharmacosiderite-C The Canadian Mineralogist, 2010, 48, 1477-1485 |
| 9016220 | CIF | Ca H7 K O13 Si4 | P 1 21/c 1 | 6.4897; 6.9969; 26.714 90; 94.597; 90 | 1209.12 | Zubkova, N. V.; Filinchuk, Y. E.; Pekov, I. V.; Pushcharovsky, D. Y.; Gobechiya, E. R. Crystal structures of shlykovite and cryptophyllite: comparative crystal chemistry of phyllosilicate minerals of the mountainite family European Journal of Mineralogy, 2010, 22, 547-555 |
| 9016221 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.5689; 6.5689; 9.6804 90; 90; 120 | 361.751 | 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 = 3.56 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9016223 | CIF | C Ca O3 | P m c n | 4.9624; 7.9989; 5.7714 90; 90; 90 | 229.088 | 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 = 175 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016224 | CIF | Na Nb0.95 O2.975 Ti0.05 | P b m a | 5.5528; 15.5597; 5.514 90; 90; 90 | 476.409 | 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 = 0.05 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9016225 | CIF | O2 Si | P 1 21/c 1 | 8.011; 4.544; 8.89 90; 121; 90 | 277.391 | 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 = 4.9 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9016226 | CIF | Fe1.74 K0.81 Mn0.26 Na0.35 O30 Si12 Zn2.79 | P 6/m c c | 10.12; 10.12; 14.298 90; 90; 120 | 1268.14 | Bojar, H. P.; Walter, F.; Hauzenberger, C.; Postl, W. Klochite, K_2(Fe2+Fe3+)Zn3[Si12O30], a new milarite-type mineral species from the Kloch volcano, Styria, Austria The Canadian Mineralogist, 2011, 49, 1115-1124 |
| 9016227 | CIF | Ni0.493 Ti0.507 | P m -3 m | 3.01302; 3.01302; 3.01302 90; 90; 90 | 27.353 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged Powder Diffraction, 2009, 24, 315-326 |
| 9016228 | CIF | Cu3 H6 O11 V2 | I 1 2/a 1 | 10.6418; 5.8485; 14.4157 90; 95.443; 90 | 893.17 | Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z. Orbital Switching in a Frustrated Magnet Nature Communications, 2012, 3, 860-865 |
| 9016230 | CIF | H4 Na2 O11 Si2 Ti2 | P 1 | 5.383; 7.053; 12.17 93.16; 107.82; 90.06 | 439.135 | Khalilov, A. D. Refinement of the crystal structure of murmanite and new data on its crystal-chemical characteristics Mineralogiceskij Zhurnal, 1989, 11, 19-27 |
| 9016232 | CIF | C Ca O3 | P m c n | 4.9767; 8.0486; 5.8396 90; 90; 90 | 233.908 | 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 = 458 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016233 | CIF | Mg48 O147 Si34 | P 1 | 43.5; 9.23; 7.27 90; 92; 84.75 | 2904.91 | Dodony, I.; Posfai, M.; Buseck, P. R. Revised structure models for antigorite: An HRTEM study Note: n = 17 American Mineralogist, 2002, 87, 1443-1457 |
| 9016235 | CIF | Ag0.331 Bi3.875 Cu0.203 Pb3.32 S10 Sb0.447 | P n m a | 23.652; 4.0539; 19.095 90; 90; 90 | 1830.88 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 3 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9016236 | CIF | Ba0.02 Ca3.58 Ce0.46 Dy0.02 F2.82 Gd0.02 La0.18 Na2.2 Nb0.12 Nd0.18 O15.18 Pr0.06 Si4 Sm0.04 Sr0.14 Ti0.85 Y0.12 Zr0.03 | P 1 21/c 1 | 7.4263; 5.6774; 18.8261 90; 101.39; 90 | 778.115 | Camara, F.; Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample YuksFe Mineralogical Magazine, 2011, 75, 2755-2774 |
| 9016237 | CIF | Co0.008 Cu0.006 Fe0.316 Ir0.202 Ni0.421 Os0.003 Pt0.032 Rh0.006 Ru0.004 | P 63/m m c | 2.6939; 2.6939; 4.2732 90; 90; 120 | 26.856 | McDonald, A. M.; Proenza, J. A.; Zaccarini, F.; Rudashevsky, N. S.; Cabri, L. J.; Stanley, C. J.; Rudashevsky, V. N.; Melgarejo, J. C.; Lewis, J. F.; Longo, F.; Bakker, R. J. Garutiite, (Ni,Fe,Ir), a new hexagonal polymorph of native Ni from Loma Peguera, Dominican Republic European Journal of Mineralogy, 2010, 22, 293-304 |
| 9016238 | CIF | Al1.608 Fe0.39 Mg O4 | F d -3 m :2 | 8.1463; 8.1463; 8.1463 90; 90; 90 | 540.606 | 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 = 960 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016239 | CIF | Al2 H4 O10 Si2 Sr | P 1 21/m 1 | 5.4231; 13.2761; 5.8583 90; 124.42; 90 | 347.936 | 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 #Pt100 American Mineralogist, 2010, 95, 724-735 |
| 9016240 | CIF | C Ca O3 | P m c n | 4.9664; 8.0126; 5.7898 90; 90; 90 | 230.398 | 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 = 258 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016241 | CIF | Fe0.812 H1.554 K Mg2.188 O12 Si4 | C 1 2/m 1 | 5.34; 9.2376; 10.2414 90; 100.014; 90 | 497.499 | Scordari, F.; Schingaro, E.; Ventruti, G.; Lacalamita, M.; Ottolini, L. Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC6_R29 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9016242 | CIF | Al1.99 Ca2 Cr0.42 Fe0.09 H Mg0.48 Mn0.02 O14 Si3 | C 1 2/m 1 | 19.174; 5.9194; 8.83 90; 97.497; 90 | 993.625 | Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1016 American Mineralogist, 2010, 95, 1294-1304 |
| 9016243 | CIF | Al0.5 Ca0.6 Fe La3.4 Mn0.5 Nb0.5 O22 Si4 Ti2.5 | P 1 21/a 1 | 13.668; 5.6601; 11.743 90; 113.64; 90 | 832.229 | Chukanov, N. V.; Blass, G.; Pekov, I. V.; Belakovskiy, D. I.; Van, K. V.; Rastsvetaeva, R. K.; Aksenov, S. M. Perrierite-(La) (La,Ce,Ca)4Fe2+(Ti,Fe)4(Si2O7)2O8 - a new mineral species from volcanic region Eifel, Germany Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2011, 140, 34-44 |
| 9016244 | CIF | Cl6 Fe K3 Na | R -3 c :R | 8.3376; 8.3376; 8.3376 92.29; 92.29; 92.29 | 578.166 | Beattie, J. K.; Moore, C. J. Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III) Inorganic Chemistry, 1982, 21, 1292-1295 |
| 9016246 | CIF | Ba1.5 Ca0.4 F1.6 Fe0.6 K0.3 Mg0.8 Mn0.2 Na1.9 Nb0.1 O16.4 Si4 Sr0.2 Ti2 | C 1 2/m 1 | 19.905; 7.098; 5.405 90; 96.349; 90 | 758.966 | Chukanov, N. V.; Pekov, I. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Zadov, A. E.; Van, K. V.; Blass, G.; Schuller, W.; Ternes, B. Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group mineral from the Eifel volcanic area, Germany European Journal of Mineralogy, 2012, 24, 181-188 |
| 9016247 | CIF | Ca2 Fe2 O5 | P n m a | 5.3035; 14.4389; 5.4979 90; 90; 90 | 421.011 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 9.73 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016248 | CIF | Li Nb O3 | R -3 :H | 5.212; 5.212; 14.356 90; 90; 120 | 337.733 | Kumada, N.; Kinomura, N.; Muto, F. Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~ Journal of the Ceramic Society of Japan, 1990, 98, 384-388 |
| 9016249 | CIF | O2 Si | P 41 21 2 | 4.599; 4.599; 6.13 90; 90; 90 | 129.654 | 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 = 9.1 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9016250 | CIF | Al7.257 B3 Ca0.696 F0.666 Fe0.03 H3.333 Li1.68 Mn0.033 Na0.228 O30.333 Pb0.01 Si6 | R 3 m :H | 15.8248; 15.8248; 7.0993 90; 90; 120 | 1539.65 | 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: L15, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016252 | CIF | Ag0.985 Cu0.005 | F m -3 m | 4.084; 4.084; 4.084 90; 90; 90 | 68.117 | Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V. Native silver and its new structural modifications Note: Sample DV-300 International Geology Review, 1981, 23, 485-494 |
| 9016253 | CIF | As3 Fe4 H10.8 K0.39 O19.1 | P -4 3 m | 7.9587; 7.9587; 7.9587 90; 90; 90 | 504.111 | Mills, S. J.; Kampf, A. R.; Williams, P. A.; Leverett, P.; Poirier, G.; Raudsepp, M.; Francis, C. A. Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup from Cornwall, UK: structure and description Mineralogical Magazine, 2010, 74, 863-869 |
| 9016254 | CIF | Al5.295 B3 Ca0.06 F0.3 Fe3.705 H3.23 Na0.94 O30.7 Si6 | R 3 m :H | 16.0393; 16.0393; 7.2536 90; 90; 120 | 1616.05 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls1 American Mineralogist, 2012, 97, 1402-1416 |
| 9016256 | CIF | Ba0.3 Ca0.7 Fe0.5 H18 K1.2 Mg0.15 Na0.15 O36 Si13 | P n m 21 | 6.538; 6.975; 37.26 90; 90; 90 | 1699.15 | Rastvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V. Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported Doklady Chemistry, 2012, 442, 57-62 |
| 9016257 | CIF | Mg O3 Si | P b c a | 18.019; 8.668; 5.1073 90; 90; 90 | 797.703 | 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 = 5.21(7) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016258 | CIF | As Ca Cu0.87 H Mg0.13 O5 | P 21 21 21 | 7.429; 5.852; 9.215 90; 90; 90 | 400.618 | Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R. Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH) Journal of Mineralogical and Petrological Sciences, 2009, 104, 125-131 |
| 9016259 | CIF | C H2 Cl6 O4 Pb4 | P 1 21/m 1 | 4.2043; 9.199; 16.663 90; 91.82; 90 | 644.122 | Kutzke, H.; Klapper, H.; Merlino, S.; Pasero, M.; Perchiazzi, N.; Eggert, G. The crystal structure of barstowite, Pb4Cl6(CO3)*H2O, determined on crystals from Etruscan slags and from a Late-Hellenistic shipwreck Zeitschrift fur Kristallographie, 2000, 215, 110-113 |
| 9016260 | CIF | Mn5 Si3 | P 63/m c m | 6.91; 6.91; 4.814 90; 90; 120 | 199.064 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9016263 | CIF | Ba Be F O4 P | F 1 | 6.889; 16.814; 6.902 90.01; 89.99; 90.32 | 799.458 | Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V. Use of modern X-ray equipment to solve fine problems of structural mineralogy by the example of the crystal structure of babefphite BaBe(PO4)F Soviet Physics Crystallography, 1980, 25, 28-31 |
| 9016264 | CIF | C H Er O4 | P 21 21 21 | 6.9386; 4.7963; 8.4863 90; 90; 90 | 282.421 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016265 | CIF | Mg O3 Si | P b c a | 17.897; 8.575; 5.0664 90; 90; 90 | 777.524 | 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 = 9.36(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9016266 | CIF | Ca3.48 O67.73 Si24 | I m m a | 20.3266; 23.876; 12.8252 90; 90; 90 | 6224.3 | 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 = 0.0 GPa Note: assignment of site chemistry does not match chemical analysis American Mineralogist, 2010, 95, 1247-1256 |
| 9016267 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1475; 8.1475; 8.1475 90; 90; 90 | 540.845 | 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 = 67,020 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016268 | CIF | Al7.728 B3 F0.14 H6 Mn1.272 Na0.674 O30.86 Si6 | R 3 m :H | 15.852; 15.852; 7.148 90; 90; 120 | 1555.55 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3h, heated in air at 750 C for 30 h American Mineralogist, 2012, 97, 1402-1416 |
| 9016270 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.8976; 8.3985; 5.402 90; 110.64; 90 | 420.219 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAF_L_tr American Mineralogist, 2012, 97, 1213-1218 |
| 9016271 | CIF | Al K0.987 O4 Si | P 3 1 c | 5.1588; 5.1588; 8.7383 90; 90; 120 | 201.398 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 200 K American Mineralogist, 2010, 95, 1027-1034 |
| 9016273 | CIF | Al Fe3 H36 O42 S6 | P -3 1 c | 10.91; 10.91; 17.0625 90; 90; 120 | 1758.83 | Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I. Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc1 The Canadian Mineralogist, 2010, 48, 323-333 |
| 9016275 | CIF | Ca0.16 Fe0.12 Mn0.16 Na6.42 O18 Si6 Sn0.04 Ti0.01 U0.02 Y0.14 Zr0.67 | R -3 m :H | 10.345; 10.345; 13.103 90; 90; 120 | 1214.4 | Grey, I. E.; Macrae, C. M.; Mumme, W. G.; Pring, A. Townendite, Na8ZrSi6O18, a new uranium-bearing lovozerite group mineral from the Ilimaussaq alkaline complex, Southern Greenland American Mineralogist, 2010, 95, 646-650 |
| 9016276 | CIF | Al7.194 B3 Ca0.641 F0.696 Fe0.021 H3.304 Li1.605 Mn0.18 Na0.288 O30.304 Pb0.023 Si6 | R 3 m :H | 15.8418; 15.8418; 7.1044 90; 90; 120 | 1544.07 | 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: L6, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016278 | CIF | Al0.32 O2 Si0.68 | R -3 m :R | 9.4; 9.4; 9.4 94.3; 94.3; 94.3 | 823.197 | Dent, L. S.; Smith, J. V. Crystal structure of chabazite, a molecular sieve Note: extra-framework cations not located Nature, 1958, 181, 1794-1796 |
| 9016283 | CIF | Ca5 O12 P3 S0.5 | P -3 | 9.4619; 9.4619; 6.8342 90; 90; 120 | 529.877 | Henning, P. A.; Adolfsson, E.; Grins, J. The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se Zeitschrift fur Kristallographie, 2000, 215, 226-230 |
| 9016284 | CIF | Ca5.1 H3.92 Na3.62 O43.96 Si16 | P -1 | 9.576; 9.577; 16.438 85.85; 75.23; 60.142 | 1261.54 | Yakovenchuk, V. N.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Krivovichev, S. V.; Zolotarev, A. A.; Zalkind, O. A. Ellingsenite, Na5Ca6Si18O38(OH)13*6H2O, a new martinite-related mineral species from phonolite of the Aris alkaline complex, Namibia Note: This is reported as an incomplete structure The Canadian Mineralogist, 2011, 49, 1165-1173 |
| 9016285 | CIF | H5 O15 Si4 Sr3 Ti | P 1 21/m 1 | 10.958; 7.778; 7.799 90; 100.9; 90 | 652.727 | Mizota, T.; Komatsu, M.; Chihara, K. On the crystal structure of Sr3TiSi4O12(OH)*2H2O, a new mineral Note: paper is missing data for O8 Mineralogical Journal, 1973, 7, 302-305 |
| 9016286 | CIF | As3 Co | I m -3 | 8.2055; 8.2055; 8.2055 90; 90; 90 | 552.478 | Kjekshus, A.; Rakke, T. Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides, Acta Chemica Scandinavica A, 1974, 28, 99-103 |
| 9016287 | CIF | Ca3 Mg4 O24 S6 | P 63 | 16.581; 16.581; 7.348 90; 90; 120 | 1749.53 | Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P. The crystal structure of beta-CaMg2(SO4)3, a mineral phase from coal dumps of the Chelyabinsk coal basin, Russia The Canadian Mineralogist, 2010, 48, 1469-1475 |
| 9016288 | CIF | C1.38 H11.58 Ba0.27 Ca17.1 Ce3.06 Cl0.93 Fe6.3 Hf0.18 K4.32 Mn9.3 Na39.02 Nb2.34 O270.63 Si86.85 Sr3.15 Zr8.82 | R 3 m :H | 14.281; 14.281; 30.243 90; 90; 120 | 5341.62 | Rastsvetaeva, R. K.; Rozenberg, K. A.; Khomyakov, A. P. Crystal structure of a K analogue of Kentbrooksite Doklady Chemistry, 2005, 403, 148-151 |
| 9016289 | CIF | Fe1.1 Mg0.75 Mn0.15 O4 Si | P b n m | 4.838; 10.49; 6.136 90; 90; 90 | 311.406 | Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 900 deg C,P = 1 atm American Mineralogist, 1977, 62, 286-295 |
| 9016290 | CIF | Cd0.002 Cu0.005 Fe0.023 In0.002 S Zn0.968 | F -4 3 m | 5.4159; 5.4159; 5.4159 90; 90; 90 | 158.859 | Nitta, E.; Kimata, M.; Hoshino, M.; Echigo, T.; Hamasaki, S.; Nishida, N.; Shimizu, M.; Akasak, T. Crystal chemistry of ZnS minerals formed as high-temperature volcanic sublimates: matraite identical with sphalerite Journal of Mineralogical and Petrological Sciences, 2008, 103, 145-151 |
| 9016292 | CIF | Fe0.07 Mn0.18 Nb0.42 O4 Sc0.5 Sn0.2 Ta0.58 Ti0.05 | P 1 2/c 1 | 4.784; 5.693; 5.12 90; 91.15; 90 | 139.417 | Kolitsch, U.; Kristiansen, R.; Raade, G.; Tillmanns, E. Heftetjernite, a new scandium mineral from the Heftetjern pegmatite, Tordal, Norway European Journal of Mineralogy, 2010, 22, 309-316 |
| 9016293 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7547; 4.7547; 9.2893 90; 90; 90 | 210.005 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q1, treated at 600 C for 5 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016294 | CIF | As0.04 B3 Ca2.53 F14 Fe0.83 Mn0.93 Na1.17 Nd7.53 O34 P0.7 Pb0.03 Si6.26 Th0.09 Ti0.02 Y3.72 | R 3 m :H | 10.7527; 10.7527; 27.4002 90; 90; 120 | 2743.59 | Raade, G.; Grice, J. D.; Erambert, M.; Kristiansson, P.; Witzke, T. Proshchenkoite-(Y) from Russia - a new mineral species in the vicanite group: Descriptive data and crystal structure Mineralogical Magazine, 2008, 72, 1071-1082 |
| 9016295 | CIF | Na5 O15 P3 V2 | C 1 m 1 | 6.3089; 20.10379; 5.1172 90; 91.134; 90 | 648.902 | Le Bail, A. On the structure of Na5V2P3O14*(H2O) _cod_database_code 1000145 Journal of Solid State Chemistry, 1993, 102, 281-282 |
| 9016296 | CIF | As3 Ba0.108 Fe4 H11.96 K0.138 Na0.75 O19.98 | P -4 3 m | 7.928; 7.928; 7.928 90; 90; 90 | 498.3 | Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D. The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite The Canadian Mineralogist, 2010, 48, 1477-1485 |
| 9016297 | CIF | Be O | P 63 m c | 2.6832; 2.6832; 4.3524 90; 90; 120 | 27.137 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 3.8 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9016300 | CIF | Al4 Ca0.725 H1.98 Li0.105 Mg0.105 Na0.21 O12 Si2 | C 1 c 1 | 5.108; 8.844; 19.156 90; 95.48; 90 | 861.42 | Joswig, W.; Takeuchi, Y.; Fuess, H. Neutron-diffraction study on the orientation of hydroxyl groups in margarite Zeitschrift fur Kristallographie, 1983, 165, 295-303 |
| 9016301 | CIF | Fe O4 Sb2 | P 1 21/c 1 | 5.7792; 8.3134; 8.4545 90; 91.879; 90 | 405.976 | Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M. Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 4.2 GPa, this is denoted as Phase II Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037 |
| 9016303 | CIF | H6 Mg3.864 O19 Si6 | P n c n | 13.3317; 27.049; 5.2694 90; 90; 90 | 1900.19 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample GRA225 Note: T = 225 C American Mineralogist, 2011, 96, 1443-1454 |
| 9016304 | CIF | C H K O3 | P 1 21/a 1 | 15.1538; 5.6186; 3.6868 90; 104.356; 90 | 304.104 | Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9016306 | CIF | Al3.6 H20.8 O34.4 Si8.4 Sr2.03 | R -3 m :R | 9.416; 9.416; 9.416 93.87; 93.87; 93.87 | 828.85 | 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: Sr-exchanged Zeolites, 1982, 2, 303-309 |
| 9016309 | CIF | As3 Fe4 O21.5 | P -4 3 m | 7.982; 7.982; 7.982 90; 90; 90 | 508.552 | Mills, S. J.; Hager, S. L.; Leverett, P.; Williams, P. A.; Raudsepp, M. The structure of H3O+ - exchanged pharmacosiderite Mineralogical Magazine, 2010, 74, 487-492 |
| 9016313 | CIF | Al2.1 Ca2 Fe0.12 H Mn0.78 O13 Si3 | P 1 21/m 1 | 8.8831; 5.6687; 10.1715 90; 115.45; 90 | 462.489 | Nagashima, M.; Akasada, M. X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.25, run 38 American Mineralogist, 2010, 95, 1237-1246 |
| 9016314 | CIF | Al0.56 Fe1.44 H14 Mn O16 P2 | P -1 | 10.277; 9.826; 7.205 90.077; 98.865; 118.442 | 629.77 | Grey, I. E.; Macrae, C. M.; Keck, E.; Birch, W. D. Aluminium-bearing strunzite derived from jahnsite at the Hagendorf-Sud pegmatite, Germany Mineralogical Magazine, 2012, 76, 1165-1174 |
| 9016315 | CIF | Ag0.32 Bi4 Cu1.68 Pb Se8 | P 1 21/m 1 | 12.952; 4.1523; 15.155 90; 108.931; 90 | 770.959 | Topa, D.; Makovicky, E.; Sejkora, J.; Dittrich, H. The crystal structure of watkinsonite, Cu2PbBi4Se8, from the Zalesi uranium deposit, Czech Republic The Canadian Mineralogist, 2010, 48, 1109-1118 |
| 9016316 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1468; 8.1468; 8.1468 90; 90; 90 | 540.706 | 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 = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016317 | CIF | Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09 | P 63/m | 9.3687; 9.3687; 6.8739 90; 90; 120 | 522.507 | Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J. A multi-domain gem-grade Brazilian apatite Note: single-crystal neutron at T = 130 K American Mineralogist, 2012, 97, 1574-1581 |
| 9016320 | CIF | Al1.614 Ca3 Fe1.386 O12 Sn1.362 Ti0.638 | I a -3 d | 12.524; 12.524; 12.524 90; 90; 90 | 1964.4 | Galuskina, I. O.; Galuskin, E. V.; Armbruster, T.; Lazic, B.; Dzierzanowski, P.; Gazeev, V. M.; Prusik, K.; Pertsev, N. N.; Winiarski, A.; Zadov, A. E.; Wrzalik, R.; Gurbanov, A. G. Bitikleite-(SnAl) and bitikleite-(ZrFe): New garnets from xenoliths of the Upper Chegem volcanic structure, Kabardino-Balkaria, Northern Caucasus, Russia American Mineralogist, 2010, 95, 959-967 |
| 9016323 | CIF | C H2 Cu O10 Pb3 Te | P c a 21 | 10.6522; 9.163; 9.6011 90; 90; 90 | 937.126 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: IX. Agaite, Pb3Cu2+Te6+O5(OH)2(CO3), a new mineral with CuO5-TeO6 polyhedral sheets American Mineralogist, 2013, 98, 512-517 |
| 9016324 | CIF | Ag2.33 Bi4.612 Pb2.058 S10 | C m c m | 4.084; 13.453; 33.932 90; 90; 90 | 1864.29 | Topa, D.; Makovicky, E.; Schimper, H. J.; Dittrich, H. The crystal structure of a synthetic orthorhombic N = 8 member of the lillianite homologous series The Canadian Mineralogist, 2010, 48, 1127-1135 |
| 9016325 | CIF | H8 O10 P U | P 4/n c c :2 | 6.995; 6.995; 17.491 90; 90; 90 | 855.835 | Morosin, B. Hydrogen uranyl phosphate tetrahydrate, a hydrogen ion solid electrolyte Acta Crystallographica, Section B, 1978, 34, 3732-3734 |
| 9016326 | CIF | Cu O | C 1 c 1 | 4.6927; 3.4283; 5.137 90; 99.546; 90 | 81.5 | Asbrink, S.; Waskowska, A. CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = room temperature Journal of Physics: Condensed Matter, 1991, 3, 8173-8180 |
| 9016327 | CIF | Cr2 O3 | R -3 c :H | 4.953; 4.953; 13.578 90; 90; 120 | 288.472 | Belokoneva, E. L.; Shcherbakova, Y. K. Electron density in synthetic eskolaite Cr2O3 with a corundum structure and its relation to antiferromagnetic properties Russian Journal of Inorganic Chemistry, 2003, 48, 861-869 |
| 9016328 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | 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 650 C Annealing time = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016329 | CIF | Fe | F m -3 m | 3.48; 3.48; 3.48 90; 90; 90 | 42.144 | 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 = 25.01 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016330 | CIF | H8 Mg O12 P2 Zr | P -1 | 5.3049; 9.3372; 9.6282 97.348; 91.534; 90.512 | 472.79 | Hawthorne, F. C.; Simmons, W. B. The crystal structure of zigrasite, MgZr(PO4)2(H2O)4, a heteropolyhedral framework structure Mineralogical Magazine, 2010, 74, 567-575 |
| 9016331 | CIF | C H0.218 Ca7 O15.109 Si3 | P 1 21/c 1 | 18.7872; 6.7244; 10.4673 90; 90.788; 90 | 1322.24 | Lazic, B.; Armbruster, T.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P. Galuskinite, Ca7(SiO4)3(CO3), a new skarn mineral from the Birkhin gabbro massif, Eastern Siberia, Russia Mineralogical Magazine, 2011, 75, 2631-2648 |
| 9016333 | CIF | O6 Ta Ti Yb | P b c n | 14.5478; 5.5289; 5.1683 90; 90; 90 | 415.704 | 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 |
| 9016335 | CIF | Al0.6 K1.26 Na2.22 Nb1.29 O31 Ta9.11 | C 2 2 2 | 17.224; 17.687; 3.9361 90; 90; 90 | 1199.1 | Atencio, D.; Contreira, R. R.; Mills, S. J.; Coutinho, J. M. V.; Honorato, S. B.; Ayala, A. P.; Ellena, J.; De Andrade, M. B. Rankamaite from the Urubu pegmatite, Itinga, Minas Gerais, Brazil: Crystal chemistry and Rietveld refinement Note: Identification of OH not reported American Mineralogist, 2011, 96, 1455-1460 |
| 9016336 | CIF | Al1.459 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | 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 = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016338 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9579; 7.9595; 5.7328 90; 90; 90 | 226.23 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 265 K American Mineralogist, 2012, 97, 707-712 |
| 9016341 | CIF | As4 Ca Cu4 H22 O26 | P -1 | 6.439; 7.999; 10.849 85.78; 81.22; 85.05 | 549.139 | Sejkora, J.; Plasil, J.; Veselovsky, F.; Cisarova, I.; Hlousek, J. Ondrusite, CaCu4(AsO4)2(AsO3OH)2*10H2O, a new mineral species from the Jachymov ore district, Czech Republic: Description and crystal-structure determination The Canadian Mineralogist, 2011, 49, 885-897 |
| 9016342 | CIF | Ni Ti | P 1 1 21/m | 2.8894; 4.1334; 4.6321 90; 90; 96.929 | 54.917 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged Powder Diffraction, 2009, 24, 315-326 |
| 9016343 | CIF | Al1.468 Fe0.53 Mg1.004 O4 | F d -3 m :2 | 8.1709; 8.1709; 8.1709 90; 90; 90 | 545.519 | 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 750 C Annealing time = 30 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016344 | CIF | Fe1.1 H0.24 K Mg1.9 O12 Si4 | C 1 2/m 1 | 5.3269; 9.222; 10.129 90; 100.027; 90 | 489.984 | Scordari, F.; Schingaro, E.; Ventruti, G.; Lacalamita, M.; Ottolini, L. Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC7_R5 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9016345 | CIF | Al5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031 | P 1 | 15.903; 15.9118; 7.2304 90.063; 89.793; 119.742 | 1588.59 | Hughes, J. M.; Rakovan, J.; Ertl, A.; Rossman, G. R.; Baksheev, I.; Bernhardt, H.-J. Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned triclinic Ni-bearing dravite The Canadian Mineralogist, 2011, 49, 29-40 |
| 9016346 | CIF | Al H24 N O20 S2 | P a -3 | 12.24; 12.24; 12.24 90; 90; 90 | 1833.77 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9016347 | CIF | Fe S4 Sb2 | P n a m | 11.034; 13.5152; 3.7136 90; 90; 90 | 553.797 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 4.89 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9016350 | CIF | Be H7.532 Na2 O13.766 Si4 | P 21 21 21 | 9.7128; 10.1352; 11.8919 90; 90; 90 | 1170.65 | Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T. Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals American Mineralogist, 2010, 95, 519-526 |
| 9016351 | CIF | Al3 Ba F3.36 H4.64 Li Mg2 O16.64 Si4 | C c c a :2 | 13.6; 20.24; 5.16 90; 90; 90 | 1420.36 | X-ray Laboratory, Wuhan Geologic College; Geology Laboratory, Hunan Geology Bureau; Geology Team 654, Hunan Geology Bureau Balipholite BaMg2LiAl3[Si2O6]2(OH,F)8 and its crystal structure Scientia Geologica Sinica, 1977, 12, 65-82 |
| 9016353 | CIF | C0.736 H1.998 Al2.7 Ca0.21 Na3.73 O15.207 Si3.3 | P 63 | 12.607; 12.607; 5.111 90; 90; 120 | 703.493 | 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# kir2343 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9016354 | CIF | Al2.754 H12 Mg Na0.75 O42 Si15.246 | I m m m | 19.156; 14.127; 7.489 90; 90; 90 | 2026.65 | Vaughan, P. A. The crystal structure of the zeolite ferrierite Acta Crystallographica, 1966, 21, 983-990 |
| 9016355 | CIF | Li0.4 O3 Sb | P n c n | 4.726; 8.659; 5.2306 90; 90; 90 | 214.049 | Fourquet, J.; Gillet, P.; Le Bail, A. Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1). _cod_database_code 1000142 Materials Research Bulletin, 1989, 24, 1207-1214 |
| 9016356 | CIF | Ru S2 | P a -3 | 5.6106; 5.6106; 5.6106 90; 90; 90 | 176.615 | 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 |
| 9016358 | CIF | Al36 Ca6.986 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36 | R 3 2 :H | 12.877; 12.877; 95.244 90; 90; 120 | 13677.2 | Camara, F.; Bellatreccia, F.; Della Ventura, G.; Gunter, M. E.; Sebastiani, M.; Cavallo, A. Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer stacking sequence: Occurrence and crystal structure American Mineralogist, 2012, 97, 1494-1504 |
| 9016361 | CIF | Bi9 Br4.272 Cl43.728 H21 K3.627 N17.373 | R -3 c :H | 13.093; 13.093; 102.682 90; 90; 120 | 15244.2 | Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M. Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano, Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion American Mineralogist, 2012, 97, 1446-1451 |
| 9016362 | CIF | Al1.99 Cu0.41 Mg0.59 O4 | F d -3 m :2 | 8.0852; 8.0852; 8.0852 90; 90; 90 | 528.533 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70aw American Mineralogist, 2012, 97, 1821-1827 |
| 9016363 | CIF | Al1.609 Fe0.389 Mg1.002 O4 | F d -3 m :2 | 8.1471; 8.1471; 8.1471 90; 90; 90 | 540.766 | 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 650 C Annealing time = 381 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016364 | CIF | Al1.459 Fe0.539 Mg1.002 O4 | F d -3 m :2 | 8.1684; 8.1684; 8.1684 90; 90; 90 | 545.018 | 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 = 5340 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016365 | CIF | Fe4 H12.5 O12.25 | I m m m | 7.544; 7.56; 7.558 90; 90; 90 | 431.053 | Birch, W. D.; Pring, A.; Reller, A.; Schmalle, H. W. Bernalite, Fe(OH)3, a new mineral from Broken Hill, New South Wales: Description and structure American Mineralogist, 1993, 78, 827-834 |
| 9016367 | CIF | B Ce O5 Si | P 31 | 6.844; 6.844; 6.7 90; 90; 120 | 271.785 | Callegari, A.; Giuseppetti, G.; Mazzi, F.; Tadini, C. The refinement of the crystal structure of stillwellite: RE[BSiO5] Neues Jahrbuch fur Mineralogie, Monatshefte, 1992, 1992, 49-57 |
| 9016368 | CIF | H6 Mg O6 Si | P 21 21 21 | 5.173; 5.21; 7.371 90; 89.88; 90 | 198.658 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048 |
| 9016370 | 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 650 C Annealing time = 765 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016372 | CIF | C2 H2 Al1.7 Ba2 Ca F0.66 O18 Si2.98 V1.323 | C 1 2 1 | 5.205; 9.033; 32.077 90; 93.49; 90 | 1505.36 | Liu, J.; Li, G.; Mao, Q.; Wu, S.; Liu, Z.; Su, S.; Xiong, M.; Yu, X. Hanjiangite, a new barium-vanadium phyllosilicate carbonate mineral, from the Shiti barium deposit in the Dabashan region, China Note: data is taken from the deposited cif, which unfortunately does not agree with the published tables. American Mineralogist, 2012, 97, 281-290 |
| 9016374 | CIF | As2 Fe2 Sr | I 4/m m m | 3.9243; 3.9243; 12.3644 90; 90; 90 | 190.413 | 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 = 297 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5 |
| 9016375 | CIF | Cl3.9 Cu18 H32.07 N0.66 O34.11 S0.18 | P 63/m m c | 15.739; 15.739; 9.127 90; 90; 120 | 1958 | Hibbs, D. E.; Leverett, P.; Williams, P. A. A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 288 K Mineralogical Magazine, 2003, 67, 47-60 |
| 9016376 | CIF | Pt Sb2 | P a -3 | 6.44; 6.44; 6.44 90; 90; 90 | 267.09 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9016377 | CIF | Al2 Ca4.33 F13 Fe0.03 H24 Na0.12 O16 S | F d -3 :2 | 16.749; 16.749; 16.749 90; 90; 90 | 4698.58 | Vignola, P.; Hatert, F.; Bersani, D.; Diella, V.; Gentile, P.; Risplendente, A. Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy European Journal of Mineralogy, 2012, 24, 1069-1076 |
| 9016378 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7475; 4.7475; 9.269 90; 90; 90 | 208.912 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q1, treated at 700 C for 210 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016383 | CIF | Al4 Ca0.87 H4 Li3.72 Na0.41 O20 P4 | I m c b | 11.476; 15.744; 7.228 90; 90; 90 | 1305.94 | Hatert, F.; Lefevre, P.; Fransolet, A. M. The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4] The Canadian Mineralogist, 2011, 49, 1079-1087 |
| 9016384 | CIF | Al0.03 Ba0.87 Ca0.02 F0.65 Fe0.11 H0.89 K0.2 Mg0.04 Mn0.4 Na2.84 Nb0.04 O17.35 Si4 Sr0.47 Ti2.82 | P n m n | 19.564; 7.1173; 5.4144 90; 90; 90 | 753.917 | Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. IV. Titanium silicates: The orthorhombic polytype of nabalamprophyllite from Lovozero Massif, Kola Peninsula, Russia Note: polytype nabalamprophyllite-2O The Canadian Mineralogist, 2008, 46, 1323-1331 |
| 9016385 | CIF | Mg2 O4 Si | P b n m | 4.7534; 10.1902; 5.9783 90; 90; 90 | 289.577 | Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R. X-ray determination of electron distributions in forsterite, fayalite and tephroite Acta Crystallographica, Section B, 1981, 37, 513-518 |
| 9016387 | CIF | As2 H8 Mg O16 U2 | C 1 2/m 1 | 18.207; 7.062; 6.661 90; 99.65; 90 | 844.338 | Bachet, B.; Brassy, C. Structure of Mg[(UO2)(AsO4)]2*4H2O Acta Crystallographica, Section C, 1991, 47, 2013-2015 |
| 9016388 | CIF | Fe S4 Sb2 | P n a m | 11.4164; 14.1705; 3.7632 90; 90; 90 | 608.796 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 0.0001 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9016391 | CIF | Al6.606 B3 Ca0.017 F0.106 Fe1.044 H3.041 K0.04 Mg1.242 Na0.533 O30.894 Si6 Ti0.084 V0.015 | R 3 m :H | 15.935; 15.935; 7.164 90; 90; 120 | 1575.4 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample Ru-T17-92 American Mineralogist, 1999, 84, 922-928 |
| 9016392 | CIF | Al2.892 H6 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9897; 6.9897; 17.574 90; 90; 120 | 743.564 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 400 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016394 | CIF | Cl6 K4 Mn | R -3 c :R | 8.468; 8.468; 8.468 89.53; 89.53; 89.53 | 607.154 | Bellanca, A. La struttura della cloromanganocalite Periodico di Mineralogia, 1947, 16, 73-88 |
| 9016395 | CIF | H24 N6 O19 P6 | R -3 :H | 15.445; 15.445; 7.553 90; 90; 120 | 1560.36 | Averbuch-Pouchot M Structure of ammonium cyclo-hexaphosphate monohydrate _cod_database_code 1008850 Acta Crystallographica, Section C, 1989, 45, 539-540 |
| 9016396 | CIF | Be2 Ca0.3 Dy0.4 Fe0.242 O10 Si2 Y1.3 | P 1 21/a 1 | 9.883; 7.6091; 4.7423 90; 90.342; 90 | 356.618 | Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Okamoto, A. Hingganite-(Ce) and hingganite-(Y) from Tahara, Hirukawa-mura, Gifu Prefecture, Japan: The description on a new mineral species of the Ce-analogue of hingannite-(Y) with a refinement of the crystal structure of hingganite-(Y) Journal of Mineralogical and Petrological Sciences, 2007, 102, 1-7 |
| 9016397 | CIF | Al3 Be2 F2 K0.983 Na6.017 O39 Si15 | P -3 m 1 | 14.386; 14.386; 4.873 90; 90; 120 | 873.388 | Larsen, A. O.; Kolitsch, U.; Gault, R. A.; Giester, G. Eirikite, a new mineral species of the leifite group from the Langesundsfjord district, Norway European Journal of Mineralogy, 2010, 22, 875-880 |
| 9016399 | CIF | Hg Pt2 Se3 | P -3 m 1 | 7.3477; 7.3477; 5.2955 90; 90; 90 | 285.897 | Vymazalova, A.; Laufek, F.; Drabek, M.; Cabral, A. R.; Haloda, J.; Sidorinova, T.; Lehmann, B.; Galbiatti, H. F.; Drahokoupil, J. Jacutingaite, Pt2HgSe3, a new platinum-group mineral species from the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil Localiy: the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil The Canadian Mineralogist, 2012, 50, 431-440 |
| 9016400 | CIF | O2 Si | P 1 21/c 1 | 8.011; 4.544; 8.89 90; 121; 90 | 277.391 | 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 = 3.5 GPa, data transformed from Dove et al (2000) Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9016401 | CIF | Al5.439 B3 Ca0.368 F0.495 Fe1.143 H3.02 K0.029 Li0.018 Mg2.292 Mn0.012 Na0.471 O30.505 Si6 Ti0.033 | R 3 m :H | 15.965; 15.965; 7.199 90; 90; 120 | 1589.06 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample #32008 American Mineralogist, 1999, 84, 922-928 |
| 9016403 | CIF | O2 Si | P 41 21 2 | 4.746; 4.746; 6.445 90; 90; 90 | 145.171 | 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 = 3.6 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9016405 | CIF | Ce O4 P | P 1 21/n 1 | 6.76; 7; 6.44 90; 103.63; 90 | 296.159 | Mooney, R. C. L. Crystal structures of a series of rare earth phosphates Note: O3-y has been modified to a realistic value Journal of Chemical Physics, 1948, 16, 1003-1003 |
| 9016407 | CIF | Ba Cr2 O13 P | P -1 | 10.189; 8.207; 7.749 108.8; 107.14; 89.04 | 583.971 | Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Existence d'un nouvel anion condense: Cr2PO10. Structures cristallines de deux phosphochromates de baryum: BaHCr2PO10*H2O et BaHCr2PO10*3H2O Acta Crystallographica, Section B, 1977, 33, 1431-1435 |
| 9016408 | CIF | Be O | P 63 m c | 2.6928; 2.6928; 4.3705 90; 90; 120 | 27.445 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 1.1 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9016410 | CIF | C Fe O3 | R -3 c :H | 4.5; 4.5; 13.25 90; 90; 120 | 232.365 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P16, P = 44.14 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016411 | CIF | Al2 Ca0.965 H4 O10 Si2 Sr0.035 | C m c m | 5.8415; 8.7916; 13.136 90; 90; 90 | 674.614 | 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 #AU78 American Mineralogist, 2010, 95, 724-735 |
| 9016413 | CIF | F2 Sr | F m -3 m | 5.713; 5.713; 5.713 90; 90; 90 | 186.463 | Yakovenchuk, V. N.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Korchak, J. A.; Nikolaev, A. P. Strontiofluorite, SrF2, a new mineral species from the Khibiny Massif, Kola Peninsula, Russia The Canadian Mineralogist, 2010, 48, 1487-1492 |
| 9016416 | CIF | Al1.461 Fe0.54 Mg0.999 O4 | F d -3 m :2 | 8.1694; 8.1694; 8.1694 90; 90; 90 | 545.218 | 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 = 45 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016420 | CIF | Al7.308 B3 Ca0.011 F0.48 Fe0.021 H3.25 K0.002 Li0.378 Mn1.233 Na0.693 O30.57 Si5.928 | R 3 m :H | 15.9466; 15.9466; 7.1384 90; 90; 120 | 1572.06 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Note: This sample may be named wrong Sample BT American Mineralogist, 2003, 88, 1369-1376 |
| 9016422 | CIF | Cr N | F m -3 m | 4.148; 4.148; 4.148 90; 90; 90 | 71.37 | Nolze, G.; Wagner, G.; Saliwan Neumann, R.; Skála R; Geist, V. Orientation relationships of carlsbergite in schreibersite and kamacite in the north Chile iron meteorite Mineralogical Magazine, 2006, 70, 373-382 |
| 9016424 | CIF | Ag0.986 Bi2.905 Pb S6 Sb0.109 | P 1 21/c 1 | 7.0567; 19.6905; 8.2219 90; 106.961; 90 | 1092.74 | Makovicky, E.; Topa, D. The crystal structure of gustavite, PbAgBi3S6 Analysis of twinning and polytypism using the OD approach European Journal of Mineralogy, 2011, 23, 537-550 |
| 9016425 | CIF | Ag0.44 Bi13.19 Cu4 Pb12.27 S34 | C 1 2/m 1 | 37.432; 4.0529; 43.545 90; 108.8; 90 | 6253.69 | Ilinca, G.; Makovicky, E.; Topa, D.; Zagler, G. Cuproneyite, Cu7Pb27Bi25S68, a new mineral species from Baita Bihor, Romania The Canadian Mineralogist, 2012, 50, 353-370 |
| 9016426 | CIF | Ce O4 V | I 41/a m d :2 | 7.3308; 7.3308; 6.4356 90; 90; 90 | 345.853 | Chakoumakos, B. C.; Abraham, M. M.; Boatner, L. A. Crystal structure refinements of zircon-type MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu) Journal of Solid State Chemistry, 1994, 109, 197-202 |
| 9016427 | CIF | Cr2 O3 | R -3 c :H | 4.605; 4.605; 12.854 90; 90; 120 | 236.063 | 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 = 70.4 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9016429 | CIF | B H2 O2 | P 1 21/c 1 | 7.409; 7.666; 7.0421 90; 116.04; 90 | 359.371 | Baber, R. A.; Norman, N. C.; Orpen, A. G.; Rossi, J. The solid-state structure of diboronic acid, B2(OH)4 New Journal of Chemistry, 2003, 27, 772-775 |
| 9016430 | CIF | Al K0.982 O4 Si | P 3 1 c | 5.1627; 5.1627; 8.7352 90; 90; 120 | 201.631 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 250 K American Mineralogist, 2010, 95, 1027-1034 |
| 9016433 | CIF | Mg1.92 O4 Si | F d -3 m :2 | 8.0889; 8.0889; 8.0889 90; 90; 90 | 529.259 | 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 = 396 K American Mineralogist, 2012, 97, 573-582 |
| 9016434 | CIF | Al2 Cu0.44 Mg0.56 O4 | F d -3 m :2 | 8.0846; 8.0846; 8.0846 90; 90; 90 | 528.416 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70bm American Mineralogist, 2012, 97, 1821-1827 |
| 9016435 | CIF | Mg0.6 Mn1.4 O4 Si | P n m a | 10.52411; 6.17903; 4.83927 90; 90; 90 | 314.692 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9016436 | CIF | Cs6 Mo7 O38 P7 | P n m a | 10.084; 21.297; 17.491 90; 90; 90 | 3756.35 | Guesdon, A.; Borel, M.; Leclaire, A.; Grandin, A.; Raveau, B. A mixed-valent molybdenum monophosphate with a "butterfly"-shaped tunnel structure Cs6Mo7O9(PO4)7*H2O _cod_database_code 1001603 Journal of Solid State Chemistry, 1994, 111, 315-321 |
| 9016437 | CIF | Cl H | B b 21 m | 5.053; 5.373; 5.825 90; 90; 90 | 158.147 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K Nature, 1967, 213, 171-172 |
| 9016439 | CIF | As8 S9 | P 1 2/c 1 | 9.9342; 9.5566; 9.1104 90; 102.397; 90 | 844.749 | Zoppi, M.; Pratesi, G. The dual behavior of the beta-As4S4 altered by light American Mineralogist, 2012, 97, 890-896 |
| 9016441 | CIF | Al Ba0.25 Ca F3.32 Fe12 H1.32 K0.25 Mn2 Na2.25 O46.68 P12 Sr0.25 | B 1 1 2/b | 16.476; 24.581; 9.996 90; 90; 105.79 | 3895.58 | Krutik, V. M.; Pushcharovskii, D. Y.; Podebimskaya, E. A.; Belov, N. V. Crystal structure of arrojadite Kristallografiya, 1979, 24, 743-750 |
| 9016445 | CIF | Al2.889 H6 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9859; 6.9859; 17.481 90; 90; 120 | 738.825 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 300 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016449 | CIF | Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25 | R -3 :H | 10.3894; 10.3894; 20.8709 90; 90; 120 | 1950.98 | Mills, S. J.; Bindi, L.; Cadoni, M.; Kampf, A. R.; Ciriotti, M. E.; Ferraris, G. Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group European Journal of Mineralogy, 2012, 24, 1061-1067 |
| 9016450 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.3382; 11.3382; 9.6584 90; 90; 120 | 1075.29 | 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 = 4.75 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9016452 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8298; 7.6002; 9.6321 90; 90.183; 90 | 353.568 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 130 K American Mineralogist, 2010, 95, 1413-1421 |
| 9016453 | CIF | C3 H2 K3 Na O12 U | P -6 2 c | 9.3; 9.3; 8.294 90; 90; 120 | 621.242 | 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 B Mineralogical Magazine, 2012, 76, 443-453 |
| 9016457 | CIF | Fe2 O3 | R -3 c :H | 5.0066; 5.0066; 13.6411 90; 90; 120 | 296.119 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 43.9 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9016458 | CIF | As S | P 1 21/n 1 | 8.719; 12.634; 6.149 90; 107.1; 90 | 647.405 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 5.40 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9016464 | CIF | C Ca O3 | R -3 c :H | 4.9775; 4.9775; 17.2949 90; 90; 120 | 371.083 | 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 = 477 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016465 | CIF | Ba10 O24 P6 S | P -3 | 10.252; 10.252; 7.659 90; 90; 120 | 697.14 | Henning, P. A.; Adolfsson, E.; Grins, J. The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se Zeitschrift fur Kristallographie, 2000, 215, 226-230 |
| 9016466 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7561; 4.7561; 9.2748 90; 90; 90 | 209.8 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9016467 | CIF | Mg1.92 O4 Si0.98 | F d -3 m :2 | 8.0777; 8.0777; 8.0777 90; 90; 90 | 527.064 | 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 = 243 K American Mineralogist, 2012, 97, 573-582 |
| 9016470 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.3246; 14.4558; 5.5273 90; 90; 90 | 425.444 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 6.267 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016471 | CIF | Ca8 O18 Si5 | P b c n | 5.0851; 11.4165; 28.6408 90; 90; 90 | 1662.71 | Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M. Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus American Mineralogist, 2012, 97, 503-512 |
| 9016473 | CIF | Al6.567 B3 Ca0.016 F0.301 Fe1.047 H3.234 K0.015 Li0.006 Mg1.305 Mn0.018 Na0.684 O30.699 Si6 Ti0.024 V0.006 | R 3 m :H | 15.934; 15.934; 7.167 90; 90; 120 | 1575.86 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample SmFalls American Mineralogist, 1999, 84, 922-928 |
| 9016474 | CIF | Al1.459 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1704; 8.1704; 8.1704 90; 90; 90 | 545.419 | 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 750 C Annealing time = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016476 | CIF | C Fe O3 | R -3 c :H | 4.502; 4.502; 13.23 90; 90; 120 | 232.221 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P15, P = 43.9 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016477 | CIF | Al2.68 Ba0.01 Fe0.14 H2 K0.93 Mg0.1 Mn0.02 Na0.05 O12 Si3.04 Ti0.02 | C 1 2/c 1 | 5.2044; 9.018; 20.073 90; 95.82; 90 | 937.236 | Knurr, R. A.; Bailey, S. W. Refinement of Mn-substituted muscovite and phlogopite Sample: alurgite, type 2M1 Clays and Clay Minerals, 1986, 34, 7-16 |
| 9016478 | CIF | Al7.149 B3 Ca0.06 F0.759 Fe0.459 H3.24 K0.01 Li1.02 Mn0.279 Na0.78 O30.24 Si6 Zn0.03 | R 3 m :H | 15.8933; 15.8933; 7.1222 90; 90; 120 | 1558.02 | Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C. Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: split-site SREF American Mineralogist, 2013, 98, 297-303 |
| 9016479 | CIF | Al H Li O5 P | P -1 | 5.18; 7.15; 5.004 112.12; 97.8; 67.88 | 159.051 | Baur, W. H. Die Kristallstruktur des Edelamblygonits LiAlPO4(OH,F) Acta Crystallographica, 1959, 12, 988-994 |
| 9016480 | CIF | Fe | F m -3 m | 3.519; 3.519; 3.519 90; 90; 90 | 43.577 | 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 M622, P = 15.37 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016482 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.0545; 11.0545; 10.4131 90; 90; 120 | 1102.02 | 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 = 301 K American Mineralogist, 2012, 97, 1060-1069 |
| 9016484 | CIF | Al K0.98 O4 Si | P 3 1 c | 5.1589; 5.1589; 8.7438 90; 90; 120 | 201.532 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 175 K American Mineralogist, 2010, 95, 1027-1034 |
| 9016487 | CIF | Al4 Ca2 H4.92 O19 Si4 | C 1 2/c 1 | 21.524; 8.667; 9.292 90; 91.067; 90 | 1733.11 | Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 150 C American Mineralogist, 2012, 97, 1866-1873 |
| 9016491 | CIF | C Fe O3 | R -3 c :H | 4.607; 4.607; 14.415 90; 90; 120 | 264.961 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P5, P = 14.4 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016492 | CIF | Ge O2 | P 42/m n m | 4.4066; 4.4066; 2.8619 90; 90; 90 | 55.573 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380 |
| 9016493 | CIF | Fe0.11 S0.99 Zn0.9 | F -4 3 m | 5.4174; 5.4174; 5.4174 90; 90; 90 | 158.991 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Sample J1215P Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9016494 | CIF | Al7.149 B3 Ca0.6 F0.76 Fe0.459 H3.24 K0.01 Li1.02 Mn0.279 Na0.78 O30.24 Si6 Zn0.03 | R 3 m :H | 15.8933; 15.8933; 7.1222 90; 90; 120 | 1558.02 | Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C. Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: standard SREF American Mineralogist, 2013, 98, 297-303 |
| 9016495 | CIF | Ca Fe0.12 Mg0.88 O4 Si | P n m a | 11.1098; 6.3894; 4.8281 90; 90; 90 | 342.722 | Pilati, T.; Demartin, F.; Gramaccioli, C. M. Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields Acta Crystallographica, Section B, 1995, 51, 721-733 |
| 9016497 | CIF | Al2.916 H6 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9916; 6.9916; 17.621 90; 90; 120 | 745.958 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 450 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016498 | CIF | Al H Na2 O9 Si3 | P -1 | 7.2474; 7.6813; 8.6432 90.835; 99.771; 122.581 | 396.295 | Williams, E. R.; Weller, M. T. A variable-temperature neutron diffraction study of ussingite; a strong asymmetric hydrogen bond in an aluminosilicate framework Note: T = 4 K Physics and Chemistry of Minerals, 2012, 39, 471-478 |
| 9016499 | CIF | C Fe O3 | R -3 c :H | 4.372; 4.372; 12.72 90; 90; 120 | 210.561 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P20-1, P = 46.92 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016501 | CIF | C D K O3 | P 1 21/a 1 | 15.1311; 5.6054; 3.6644 90; 103.953; 90 | 301.629 | Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9016502 | CIF | Al2 Ca0.95 Fe0.9 H18 Mg2 Na0.11 O26 P4 | P 1 2/a 1 | 14.87; 6.9785; 9.9268 90; 110.11; 90 | 967.306 | Capitelli, F.; Chita, G.; Cavallo, A.; Bellatreccia, F.; Ventura, G. Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada Zeitschrift fur Kristallographie, 2011, 226, 731-738 |
| 9016503 | CIF | Cu62 S31 | P 1 21/n 1 | 26.897; 15.745; 13.565 90; 90.13; 90 | 5744.67 | Evans, H. T. Djurleite (Cu1.94S) and low chalcocite (Cu2S): New crystal structure studies Science, 1979, 203, 356-358 |
| 9016504 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1461; 8.1461; 8.1461 90; 90; 90 | 540.567 | 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 = 22,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016506 | CIF | Fe | F m -3 m | 3.507; 3.507; 3.507 90; 90; 90 | 43.133 | 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 M622, P = 17.47 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016509 | CIF | C H O4 Tm | P 42/n m c :2 | 9.3951; 9.3951; 7.7546 90; 90; 90 | 684.482 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016511 | CIF | Al2 Cu0.7 Mg0.3 O4 | F d -3 m :2 | 8.0831; 8.0831; 8.0831 90; 90; 90 | 528.122 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl90dm American Mineralogist, 2012, 97, 1821-1827 |
| 9016512 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8308; 7.6011; 9.629 90; 90.176; 90 | 353.569 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 190 K American Mineralogist, 2010, 95, 1413-1421 |
| 9016514 | CIF | H1.68 Na O7.34 Si2 Ti | A 1 2/a 1 | 5.219; 8.691; 25.01 90; 104.43; 90 | 1098.62 | Rastsvetaeva, R. K.; Andrianov, V. I. Refined crystal structure of vinogradovite Soviet Physics Crystallography, 1984, 29, 403-406 |
| 9016517 | CIF | As3 Ir | I m -3 | 8.4673; 8.4673; 8.4673 90; 90; 90 | 607.065 | Kjekshus, A.; Rakke, T. Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides, Acta Chemica Scandinavica A, 1974, 28, 99-103 |
| 9016519 | CIF | Cl5 Cu6 H7 O13 Pb3 Te | R -3 :H | 8.4035; 8.4035; 44.681 90; 90; 120 | 2732.59 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: VIII. Fuettererite, Pb3Cu2+6Te6+O6(OH)7Cl5, a new mineral with double spangolite-type sheets American Mineralogist, 2013, 98, 506-511 |
| 9016520 | CIF | Al2 Ca H2 Mg3 Na O24 Si8 | C 1 2/m 1 | 9.9; 18.04; 5.33 90; 106.75; 90 | 911.528 | Heritsch, H.; Paulitsch, P.; Walitzi, E. M. Die Struktur von Karinthin und einer barroisitischen Hornblende Note: this is not a good structure Tschermaks Mineralogische und Petrographische Mitteilungen, 1957, 6, 215-222 |
| 9016521 | CIF | Cu4 H6 O10 S | P 1 21/a 1 | 13.1117; 9.8654; 6.0307 90; 103.255; 90 | 759.302 | Mills, S. J.; Kampf, A. R.; Pasero, M.; Merlino, S. Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype of brochantite Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite European Journal of Mineralogy, 2010, 22, 453-457 |
| 9016523 | CIF | As2 Fe2 Sr | F m m m | 5.5783; 5.5175; 12.2965 90; 90; 90 | 378.465 | 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 = 90 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5 |
| 9016524 | CIF | Be O | P 63 m c | 2.6883; 2.6883; 4.3614 90; 90; 120 | 27.297 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 2.2 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9016526 | CIF | C Ca O3 | P m c n | 4.9594; 7.9893; 5.7584 90; 90; 90 | 228.16 | 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 = 113 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016530 | CIF | O10 Si3 Sr Y2 | P -1 | 6.757; 6.885; 9.273 72.42; 86.37; 88.37 | 410.405 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9016531 | CIF | C Fe Na3 O7 P | P 1 1 21/m | 8.955; 5.149; 6.629 90; 90; 90.45 | 305.649 | Tjy, C. T. L.; Nadezhina, T. N.; Pobedimskaya, E. A.; Khomyakov, A. P. Crystal chemical characteristics of bradleyite, sidorenkite and bonshtedtite Note: atomic parameters from ICSD Mineralogiceskij Zhurnal, 1984, 6, 79-84 |
| 9016532 | CIF | Al8.601 B3.24 Ca0.01 F0.04 Fe0.039 H2.899 Li0.321 Mn0.279 Na0.46 O30.96 Si5.508 Ti0.012 | R 3 m :H | 15.8171; 15.8171; 7.0935 90; 90; 120 | 1536.9 | Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T. Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT4 Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] Tourmaline American Mineralogist, 2005, 90, 481-487 |
| 9016533 | CIF | Al12 Ca5.515 Cl3 K2.505 Na7.5 O60 S3 Si12 | P 3 1 c | 12.7961; 12.7961; 21.4094 90; 90; 120 | 3035.92 | Ballirano, P.; Bosi, F. Thermal behavior of afghanite, an ABABACAC member of the cancrinite group American Mineralogist, 2012, 97, 630-640 |
| 9016534 | CIF | As2 H16 Mg Mn2 O18 Pb2 | P -1 | 5.0528; 5.7671; 14.617 85.656; 82.029; 88.728 | 420.583 | Chukanov, N. V.; Pekov, I. V.; Johsson, E.; Zubkova, N. V.; Filinchuk, Y. E.; Belakovskiy, D. I.; Pushcharovsky, D. Y. Langbanshyttanite, a new low-temperature arsenate mineral with a novel structure from Langban, Sweden European Journal of Mineralogy, 2011, 23, 675-681 |
| 9016535 | CIF | O3 V2 | R -3 c :H | 4.9322; 4.9322; 13.991 90; 90; 120 | 294.755 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 18.3 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9016536 | CIF | Al0.3 B3 Fe6.87 H3.12 K0.2 Mg1.83 Na0.8 O31 Si6 | R 3 m :H | 16.186; 16.186; 7.444 90; 90; 120 | 1688.95 | Grice, J. D.; Ercit, T. S.; Hawthorne, F. C. Povondraite, a redefinition of the tourmaline ferridravite Note: Atomic parameters updated by Grice on 11/20/2001 American Mineralogist, 1993, 78, 433-436 |
| 9016540 | CIF | H18 Na2.76 Nb3 O26 Si4 | P 3 | 9.937; 9.937; 7.004 90; 90; 120 | 598.946 | Haring, M. M. M.; McDonald, A. M.; Cooper, M. A.; Poirier, G. A. Laurentianite, [NbO(H2O)]3(Si2O7)2[Na(H2O)2]3, a new mineral from Mont Saint-Hilaire, Quebec: description, crystal-structure determination and paragenesis The Canadian Mineralogist, 2012, 50, 1265-1280 |
| 9016542 | CIF | Al7.167 B3 Ca0.441 F0.681 Fe0.027 H3.319 Li1.278 Mn0.531 Na0.471 O30.319 Pb0.025 Si6 | R 3 m :H | 15.8675; 15.8675; 7.1135 90; 90; 120 | 1551.07 | 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: L11, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016543 | CIF | Ca1.52 Ce0.35 Dy0.15 Er0.15 F Gd0.12 La0.06 Mn0.03 Nd0.33 O12 Pr0.06 Si3 Sm0.12 Y1.96 Yb0.18 | P 63/m | 9.4437; 9.4437; 6.8169 90; 90; 120 | 526.504 | Pekov, I. V.; Zubkova, N. V.; Chukanov, N. V.; Husdal, T. A.; Zadov, A. E.; Pushcharovsky, D. Y. Fluorbritholite-(Y), (Y,Ca,Ln)5[(Si,P)O4]3F, a new mineral of the britholite group Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 191-197 |
| 9016545 | CIF | Al2.22 Ca2 Cr0.27 Fe0.05 H2 Mg0.45 Mn0.01 O14 Si3 | C 1 2/m 1 | 19.0935; 5.9; 8.81 90; 97.54; 90 | 983.88 | Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp0604 American Mineralogist, 2010, 95, 1294-1304 |
| 9016547 | CIF | C Ca O3 | P b n m | 4.1291; 7.1581; 8.4764 90; 90; 90 | 250.533 | Le Bail, A.; Ouhenia, S.; Chateigner, D. Microtwinning hypothesis for a more ordered vaterite model Note: Meyer (1959) model, not preferred Powder Diffraction, 2011, 26, 16-21 |
| 9016549 | CIF | Cl2 Fe | P -3 m 1 | 3.585; 3.585; 5.735 90; 90; 120 | 63.833 | Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 6.40 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405 |
| 9016550 | CIF | Bi2.12 Pb5.828 S8.7 Se0.3 | B b m m | 13.7498; 31.5053; 4.1475 90; 90; 90 | 1796.66 | Pinto, D.; Balic-Zunic T; Garavelli, A.; Vurro, F. Structure refinement of Ag-free heyrovskyite from Vulcano (Aeolian Islands, Italy) American Mineralogist, 2011, 96, 1120-1128 |
| 9016551 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.278; 12.278; 4.876 90; 90; 120 | 636.575 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 5.73 GPa American Mineralogist, 2012, 97, 872-882 |
| 9016553 | CIF | O3 Si Sr | P -1 | 6.874; 6.894; 9.717 85.01; 110.57; 104.01 | 418.298 | Machida, K. I.; Adachi, G. Y.; Shiokawa, J.; Shimada, M.; Koizumi, M.; Suito, K.; Onodera, A. High-pressure synthesis, crystal structures, and luminescences properties of europium(II) metasilicate and europium(II)-activated calcium and strontium metasilicates Note: known as the delta-phase Inorganic Chemistry, 1982, 21, 1512-1519 |
| 9016554 | CIF | As0.024 Ca2.19 Mn1.978 Na0.81 O12 Si0.21 V2.781 | I a -3 d | 12.5433; 12.5433; 12.5433 90; 90; 90 | 1973.49 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
| 9016558 | CIF | O3 Si Sr | P 1 21/c 1 | 7.452; 6.066; 13.479 90; 117.09; 90 | 542.457 | Machida, K. I.; Adachi, G. Y.; Shiokawa, J.; Shimada, M.; Koizumi, M.; Suito, K.; Onodera, A. High-pressure synthesis, crystal structures, and luminescences properties of europium(II) metasilicate and europium(II)-activated calcium and strontium metasilicates Note: known as the delta-prime-phase Inorganic Chemistry, 1982, 21, 1512-1519 |
| 9016559 | CIF | Al2 Ca H15.68 O11.84 | P 63/m | 16.387; 16.387; 8.279 90; 90; 120 | 1925.34 | Guirado, F.; Gali, S.; Chinchon, S.; Rius, J. Crystal structure solution of hydrated high-alumina cement from X-ray powder diffraction data Angewandte Chemie, 1998, 37, 72-75 |
| 9016560 | CIF | Ba Pd | C 1 2/c 1 | 11.95; 13.82; 6.71 90; 103.63; 90 | 1076.94 | de Rassenfosse, A.; Pierard, J. Etude cristallographique du palladocyanure de baryum. BaPd(CN)4(H2O)4 _cod_database_code 1010798 Bulletin de la Societe Royal des Sciences de Liege, 1935, 4, 74-79 |
| 9016561 | CIF | Al4 B10.68 Be5.32 Cs0.34 K0.34 O28 Rb0.17 | P -4 3 m | 7.3094; 7.3094; 7.3094 90; 90; 90 | 390.522 | Gatta, G. D.; Vignola, P.; McIntyre, G. J.; Diella, V. On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]: a single-crystal neutron diffraction study at 300 and 20 K Note: neutron diffraction study at T = 20 K American Mineralogist, 2010, 95, 1467-1472 |
| 9016562 | CIF | C Fe O3 | R -3 c :H | 4.368; 4.368; 12.75 90; 90; 120 | 210.672 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P20-2, P = 47.2 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016563 | CIF | Cr2 O3 | R -3 c :H | 4.8273; 4.8273; 13.264 90; 90; 120 | 267.679 | 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 = 20.4 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9016564 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1696; 8.1696; 8.1696 90; 90; 90 | 545.258 | 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 = 360 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016567 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.4; 8.64; 5.075 90; 100.91; 90 | 404.721 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 8.72 GPa American Mineralogist, 2009, 94, 616-621 |
| 9016570 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4801; 11.4801; 11.4801 90; 90; 90 | 1512.99 | 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 = 523.0 K American Mineralogist, 2011, 96, 1593-1605 |
| 9016572 | CIF | Fe0.087 Mg0.913 O3 Si | P b c a | 17.868; 8.491; 5.0565 90; 90; 90 | 767.158 | Zhang, J. S.; Dera, P.; Bass, J. D. A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 12.66 GPa American Mineralogist, 2012, 97, 1070-1074 |
| 9016573 | CIF | Ca2 K O23 P5 | P n a 21 | 14.773; 15.758; 19.91409 90; 90; 90 | 4635.86 | Averbuch-Pouchot M; Durif, A.; Schuelke, U. The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4K2P10O30*16(H2O) _cod_database_code 1007233 European Journal of Solid State and Inorganic Chemistry, 1996, 33, 1091-1100 |
| 9016574 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.784; 9.1342; 5.1924 90; 101.754; 90 | 454.309 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 30 K American Mineralogist, 2012, 97, 694-706 |
| 9016575 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.5976; 12.5976; 5.1168 90; 90; 120 | 703.242 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-AIR) American Mineralogist, 2012, 97, 872-882 |
| 9016577 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | 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 650 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016578 | CIF | C H6.96 Al6 K0.36 Na7.561 O30.48 Si6 | P 3 1 c | 12.6678; 12.6678; 10.3401 90; 90; 120 | 1437 | Khomyakov, A. P.; Camara, F.; Sokolova, E. Carbobystrite, Na8[Al6Si6O24](CO3)*4H2O, a new cancrinite-group mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure The Canadian Mineralogist, 2010, 48, 291-300 |
| 9016581 | CIF | As Fe H4 O6 | P c a b | 8.937; 10.278; 9.996 90; 90; 90 | 918.177 | Hawthorne, F. C. The hydrogen positions in scorodite Acta Crystallographica, Section B, 1976, 32, 2891-2892 |
| 9016583 | CIF | Al7.203 B3 Ca0.63 F0.69 Fe0.123 H3.309 Li1.524 Mg0.069 Mn0.069 Na0.338 O30.309 Pb0.007 Si6 Ti0.012 | R 3 m :H | 15.8404; 15.8404; 7.1039 90; 90; 120 | 1543.69 | 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: L28, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9016584 | CIF | C Fe3 | P n m a | 5.09; 6.748; 4.523 90; 90; 90 | 155.353 | Herbstein, F. H.; Smuts, J. Comparison of X-ray and neutron-diffraction refinements of the structure of cementite Fe3C Acta Crystallographica, 1964, 17, 1331-1332 |
| 9016585 | CIF | B20 H26 O | C 1 2/c 1 | 24.838; 6.816; 10.132 90; 98.43; 90 | 1696.77 | Greenwood, N. N.; McDonald, W. S.; Spalding, T. R. Crystal and molecular structure of 6,6 bis(nido-decaboranyl) oxide (B10H13)2O Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry, 1980, 1980, 1251-1252 |
| 9016586 | CIF | Al6.24 B3.09 F0.19 Fe1.939 H3.41 Li0.021 Mg0.7 Na0.96 O30.81 Si5.802 Ti0.208 | R 3 m :H | 15.99; 15.99; 7.195 90; 90; 120 | 1593.16 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Shorl 49356 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016592 | CIF | C Ba0.981 O3 Sr0.019 | P m c n | 5.3193; 8.9056; 6.4353 90; 90; 90 | 304.85 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist, 2012, 97, 707-712 |
| 9016593 | CIF | Ba0.001 Fe0.001 O4 S Sr0.966 | P b n m | 6.87032; 8.3603; 5.34732 90; 90; 90 | 307.139 | Antao, S. M. Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups American Mineralogist, 2012, 97, 661-665 |
| 9016594 | CIF | Fe0.665 H1.072 K Mg2.335 O12 Si4 | C 1 2/m 1 | 5.3369; 9.2355; 10.2267 90; 100.05; 90 | 496.329 | Scordari, F.; Schingaro, E.; Ventruti, G.; Lacalamita, M.; Ottolini, L. Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC7_R2 Physics and Chemistry of Minerals, 2008, 35, 163-174 |
| 9016596 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.9015; 8.4047; 5.4036 90; 110.637; 90 | 420.828 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAG American Mineralogist, 2012, 97, 1213-1218 |
| 9016597 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9564; 7.9536; 5.7253 90; 90; 90 | 225.698 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 224 K American Mineralogist, 2012, 97, 707-712 |
| 9016598 | CIF | Mg2 O4 Si | I m m a | 5.7214; 11.4789; 8.2924 90; 90; 90 | 544.607 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 728 K American Mineralogist, 2012, 97, 1582-1590 |
| 9016599 | CIF | C Fe O3 | R -3 c :H | 4.575; 4.575; 14.29 90; 90; 120 | 259.027 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P7, P = 18.82 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016600 | CIF | C Ca O3 | P m c n | 4.9744; 8.0432; 5.83 90; 90; 90 | 233.259 | 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 |
| 9016602 | CIF | Fe2.48 Mg0.09 O4 Si0.43 | I m m a | 5.8506; 17.9793; 8.3779 90; 90; 90 | 881.269 | 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: 4f8b1195, Spinelloid-II European Journal of Mineralogy, 2012, 24, 657-668 |
| 9016604 | CIF | C Ca0.001 O3 Pb | P m c n | 5.182; 8.4953; 6.1436 90; 90; 90 | 270.458 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist, 2012, 97, 707-712 |
| 9016605 | CIF | Fe0.96 Si2 | C m c e | 9.8362; 7.8301; 7.8655 90; 90; 90 | 605.788 | Li, G.; Sh, N.; Xiong, M.; Ma, Z.; Bai, W.; Fang, Q. Rietveld structure refinement of new mineral luobusaite (beta-FeSi2) Journal of Mineralogy and Petrology, 2007, 27, 1-5 |
| 9016606 | CIF | As0.5 Ca Cu H O5 P0.5 | P 21 21 21 | 7.328; 9.123; 5.769 90; 90; 90 | 385.677 | Schluter, J.; Pohl, D.; Gebhard, G. The new mineral hermannroseite, CaCu(PO4,AsO4)(OH), the phosphate analogue of conichalcite, from Tsumeb, Namibia Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 135-140 |
| 9016609 | CIF | Cr2 O3 | R -3 c :H | 4.951; 4.951; 13.5656 90; 90; 120 | 287.975 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9016611 | CIF | H2 O | P n -3 m :1 | 3.3; 3.3; 3.3 90; 90; 90 | 35.937 | Kamb, B.; Davis, B. L. Ice VII, the densest form of ice Note: T = 223 K, P = 2.5 GPa Proceedings of the National Academy of Sciences, 1964, 52, 1433-1439 |
| 9016612 | CIF | As6.36 H3.56 K1.61 N0.39 O S13 Sb1.64 | P -1 | 9.704; 11.579; 12.102 112.82; 103.44; 90.49 | 1211.64 | Biagioni, C.; Bonaccorsi, E.; Pasero, M.; Moelo, Y.; Ciriotti, M. E.; Bersani, D.; Callegari, A. M.; Boiocchi, M. Ambrinoite, (K,NH4)2(As,Sb)8S13*H2O, a new mineral from Upper Susa Valley, Piedmont, Italy: The first natural (K,NH4)-hydrated sulfosalt American Mineralogist, 2011, 96, 878-887 |
| 9016613 | CIF | C0.805 H1.998 Al2.91 Ca0.81 Na2.915 O15.414 Si3.09 | P 63 | 12.613; 12.613; 5.124 90; 90; 120 | 705.954 | 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# mmf62633/2 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9016614 | CIF | Dy0.239 H52 O66 S4 U8 Y1.98 | P -1 | 14.0743; 17.4174; 17.7062 75.933; 128.001; 74.419 | 2776.99 | Plasil, J.; Dusek, M.; Novak, M.; Cejka, J.; Cisarova, I.; Skoda, R. Sejkoraite-(Y), a new member of the zippeite group containing trivalent cations from Jachymov (St. Joachimsthal), Czech Republic: Description and crystal structure refinement American Mineralogist, 2011, 96, 983-991 |
| 9016616 | CIF | Ag16 As4 Cu0.213 Hg0.786 S15 | C 1 2 1 | 26.03; 15.059; 15.524 90; 90.45; 90 | 6085 | Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S. A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R110042 Mineralogical Magazine, 2012, 76, 551-566 |
| 9016617 | CIF | Fe0.6 Mn1.4 O4 Si | P b n m | 4.8789; 10.60587; 6.20468 90; 90; 90 | 321.061 | Redfern, S. A. T.; Knight, K. S.; Henderson, C. M. B.; Wood, B. J. Fe-Mn cation ordering in fayalite-tephroite (FexMn1-x)2SiO4 olivines: A neutron diffraction study Mineralogical Magazine, 1998, 62, 607-615 |
| 9016618 | CIF | C Na1.959 O3 | C 1 2/m 1 | 8.825; 5.194; 5.953 90; 101.83; 90 | 267.072 | Arakcheeva, A.; Bindi, L.; Pattison, P.; Meisser, N.; Chapuis, G.; Pekov, I. The incommensurately modulated structures of natural natrite at 120 and 293 K from synchrotron X-ray data T = 120 K American Mineralogist, 2010, 95, 574-581 |
| 9016619 | CIF | Al K0.986 O4 Si | P 3 1 c | 5.1652; 5.1652; 8.7326 90; 90; 120 | 201.766 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 275 K American Mineralogist, 2010, 95, 1027-1034 |
| 9016620 | CIF | Ca4.68 Ce11.4 Cs6 F6.76 Gd0.24 H46.02 K2.22 La5.82 Nd3.18 O203.11 Pr1.56 Si70 Sm0.36 Sr1.02 | P m -3 | 21.9148; 21.9148; 21.9148 90; 90; 90 | 10524.8 | Sokolova, E.; Hawthorne, F. C.; Pautov, L. A.; Agakhanov, A. A.; Karpenko, V. Y. The crystal structure and crystal chemistry of mendeleevite-(Ce), (Cs,_)6(_,Cs)6(_,K)6(REE,Ca,_)30(Si70O175)(H2O,OH,F,_)35, a potential microporous material Tien-Shan mountains, northern Tajikistan Mineralogical Magazine, 2011, 75, 2583-2596 |
| 9016621 | CIF | Cl Cr2 F H2 O10 Pb4 | P m m n :2 | 7.6256; 11.6081; 6.8961 90; 90; 90 | 610.434 | Cooper, M. A.; Ball, N. A.; Hawthorne, F. C.; Paar, W. H.; Roberts, A. C.; Moffatt, E. Georgerobinsonite, Pb4(CrO4)2(OH)2FCl, a new chromate mineral from the Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona: description and crystal structure The Canadian Mineralogist, 2011, 49, 865-876 |
| 9016624 | CIF | Ba O3 Ti | R 3 m :R | 4.0042; 4.0042; 4.0042 89.836; 89.836; 89.836 | 64.201 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 100 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016625 | CIF | Mg1.88 O4 Si0.97 | F d -3 m :2 | 8.0947; 8.0947; 8.0947 90; 90; 90 | 530.398 | 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: at room T after heating to T = 635 K, split Si model American Mineralogist, 2012, 97, 573-582 |
| 9016626 | CIF | Fe H10 N O11 S2 | P 1 21/c 1 | 9.982; 10.156; 9.504 90; 94.95; 90 | 959.895 | Palmer, K. J.; Wong, R. Y.; Lee, K. S. The crystal structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2*3H2O Note: y-coordinate of O10 altered to reproduce reported bond lengths Acta Crystallographica, Section B, 1972, 28, 236-241 |
| 9016627 | CIF | Cl Cu2 D3 O3 | P 1 21/n 1 | 6.15175; 6.81606; 9.10541 90; 99.8394; 90 | 376.18 | Wills, A. S.; Henry, J. Y. On the crystal and magnetic ordering structures of clinoatacamite, gamma-Cu2(OD)3Cl, a proposed valence bond solid Journal of Physics: Condensed Matter, 2008, 20, 472206-472208 |
| 9016628 | CIF | Ca2 Fe2 O5 | P n m a | 5.3744; 14.6175; 5.5526 90; 90; 90 | 436.214 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 3.863 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016629 | CIF | Cl10 Cu4 K4 O | C 1 2/c 1 | 14.74; 14.9; 8.948 90; 104.79; 90 | 1900.1 | Semenova, T. F.; Rozhdestvenskaya, I. V.; Filatov, S. K.; Verasova, L. P. Crystal structure of a new mineral ponomarevite, K4Cu4OCl10 Doklady Akademii Nauk SSSR, 1989, 304, 427-430 |
| 9016631 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7538; 4.7538; 9.2193 90; 90; 90 | 208.343 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q1, treated at 750 C for 130 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016632 | CIF | Ca1.78 Fe1.72 H2 Mg3.5 Na1.06 O24 Si8 | C 1 2/m 1 | 9.62; 17.717; 5.216 90; 106.18; 90 | 853.79 | 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 = 6.35 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9016633 | CIF | H1.333 Mg1.333 O5 S | I 41/a m d :2 | 5.242; 5.242; 12.995 90; 90; 90 | 357.084 | Keefer, K. D.; Hochella, Jr, M. F.; de Jong, B. H. W. S. The structure of the magnesium hydroxide sulfate hydrate MgSO4.1/3Mg(OH)2.1/3H2O Acta Crystallographica, Section B, 1981, 37, 1003-1006 |
| 9016634 | CIF | Al0.5 Nb0.5 O2 | C 1 2/m 1 | 12.1545; 3.735; 6.4884 90; 107.62; 90 | 280.735 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N00 American Mineralogist, 2012, 97, 910-917 |
| 9016635 | CIF | Fe | F m -3 m | 3.495; 3.495; 3.495 90; 90; 90 | 42.692 | 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 M622, P = 19.82 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016636 | CIF | Al8.262 B3.762 Ca0.3 F0.15 H5.7 Li0.738 Na0.42 O30.85 Si5.238 | R 3 m :H | 15.7395; 15.7395; 7.0656 90; 90; 120 | 1515.87 | Ertl, A.; Pertlik, F.; Bernhardt, H. J. Investigations on olenite with exess boron from Koralpe, Styria, Austria Anzeiger der Osterreichische Akademie der Wissenschaften, 1997, 134, 3-10 |
| 9016637 | CIF | C4 H0.19 Ba Ca0.39 Ce0.66 F0.75 La0.7 Na0.61 Nd0.12 O12.19 Pr0.04 Sr0.46 | P 63/m m c | 5.1196; 5.1196; 23.1784 90; 90; 120 | 526.122 | Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Koneva, A. A.; Raudsepp, M. Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 2 The Canadian Mineralogist, 2012, 50, 1281-1290 |
| 9016638 | CIF | Ba O3 Ti | A m m 2 | 3.9874; 5.6751; 5.6901 90; 90; 90 | 128.761 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 270 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016639 | CIF | As Fe S | P 1 21/c 1 | 5.7612; 5.6841; 5.7674 90; 111.721; 90 | 175.456 | Bindi, L.; Moelo, Y.; Leone, P.; Suchaud, M. Stoichiometric arsenopyrite, FeAsS, from La Roche-Balue Quarry, Loire-Atlantique, France: Crystal structure and Mossbauer study The Canadian Mineralogist, 2012, 50, 471-479 |
| 9016640 | CIF | C Fe O3 | R -3 c :H | 4.676; 4.676; 15.31 90; 90; 120 | 289.904 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P1, P = 1.89 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016645 | CIF | Ca2 F H3 O5 Si | P -1 | 10.999; 8.176; 5.6678 94.24; 89; 90.18 | 508.22 | Biagioni, C.; Bonaccorsi, E.; Merlino, S. Crystal structure of bultfonteinite, Ca4[SiO3(OH)]2F2*2H2O, from N'chwaning II mine (Kalahari Manganese Field, Republic of South Africa) Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A, 2010, 115, 9-15 |
| 9016646 | CIF | Al H3 O3 | P 1 21/n 1 | 5.0626; 8.6719; 9.4254 90; 90.26; 90 | 413.793 | Zigan, F.; Joswig, W.; Burger, N. Die wasserstoffpositionen im bayerit, Al(OH)3 Note: T = 4 K Zeitschrift fur Kristallographie, 1978, 148, 255-273 |
| 9016648 | CIF | Fe | F m -3 m | 3.484; 3.484; 3.484 90; 90; 90 | 42.29 | 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 M622, P = 22.34 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016649 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7561; 4.7561; 9.288 90; 90; 90 | 210.099 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9016650 | CIF | Al0.09 Cu0.27 Fe1.98 H6 O14 Pb S2 Zn0.75 | R -3 m :H | 7.3028; 7.3028; 17.0517 90; 90; 120 | 787.548 | Sato, E.; Nakai, I.; Terada, Y.; Tsutsumi, Y.; Yokoyama, K.; Miyawaki, R.; Matsubara, S. Study of Zn-bearing beaverite Pb(Fe2Zn)(SO4)2(OH)6 obtained from Mikawa mine, Niigata Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2008, 103, 141-144 |
| 9016652 | CIF | C H Dy O4 | P 21 21 21 | 6.9813; 4.8336; 8.4449 90; 90; 90 | 284.972 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016653 | CIF | Al0.32 B3.06 Fe6.82 H3.3 K0.26 Mg1.85 Na0.79 O31 Si5.94 V0.01 | R 3 m :H | 16.186; 16.186; 7.444 90; 90; 120 | 1688.95 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Povondraite 144478 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016654 | CIF | As2 Pt | P a -3 | 5.9665; 5.9665; 5.9665 90; 90; 90 | 212.402 | 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 |
| 9016655 | CIF | As0.67 Cu3 S4 Sb0.33 | I -4 2 m | 5.315; 5.315; 10.536 90; 90; 90 | 297.634 | Pfitzner, A.; Bernert, T. The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3As0.7Sb0.3S4 Zeitschrift fur Kristallographie, 2004, 219, 20-26 |
| 9016656 | CIF | Ca0.18 H2 K0.208 Mg2.305 Mn2.915 Na2.344 O24 Si8 | C 1 2/m 1 | 9.9024; 18.1117; 5.2992 90; 104.034; 90 | 922.04 | Barkley, M. C.; Yang, H.; Downs, R. T. Kozulite, a Mn-rich alkali amphibole Acta Crystallographica, Section E, 2010, 66, i83-i83 |
| 9016657 | CIF | La0.2 Nb2 O6 Sr0.8 | P n m a | 11.042; 7.665; 5.584 90; 90; 90 | 472.613 | 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 |
| 9016658 | CIF | Mg1.96 O4 Si | F d -3 m :2 | 8.0746; 8.0746; 8.0746 90; 90; 90 | 526.457 | 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 = 143 K American Mineralogist, 2012, 97, 573-582 |
| 9016659 | CIF | Al0.11 Ca8.76 F Fe0.17 Mg0.72 Na0.24 O27 P7 | R 3 c :H | 10.3224; 10.3224; 37.07 90; 90; 120 | 3420.7 | Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R050109 The Canadian Mineralogist, 2011, 49, 1065-1078 |
| 9016662 | CIF | Ag4 Mn S6 Sb2 | P 1 21/n 1 | 10.31; 8.07; 6.62 90; 92.68; 90 | 550.193 | Hruskova, J.; Synecek, V. The crystal structure of samsonite, 2 Ag2S*MnS*Sb2S3 Acta Crystallographica, Section B, 1969, 25, 1004-1006 |
| 9016663 | CIF | Ca9.45 Fe0.22 Mg0.78 O28 P7 | R 3 c :H | 10.362; 10.362; 37.106 90; 90; 120 | 3450.34 | Dowty, E. Phosphate in Angra Dos Reis: Structure and composition of the Ca3(PO4)2 minerals Earth and Planetary Science Letters, 1977, 35, 347-351 |
| 9016664 | CIF | H30 Na3 O43 V10 | P 1 21/n 1 | 12.0248; 17.121; 18.14 90; 106.242; 90 | 3585.55 | Kampf, A. R.; Hughes, J. M.; Marty, J.; Gunter, M. E.; Nash, B. Rakovanite, Na3{H3[V10O28]}*15H2O, a new member of the pascoite family with a protonated decavanadate polyanion The Canadian Mineralogist, 2011, 49, 595-604 |
| 9016665 | CIF | Ca4.64 F3 Mn0.45 Na1.62 O15 Si4 Zr1.29 | P -1 | 10.973; 10.306; 7.367 90.03; 109.63; 90.11 | 784.696 | Bellezza, M.; Merlino, S.; Perchiazzi, N. Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain I The Canadian Mineralogist, 2012, 50, 531-548 |
| 9016666 | CIF | H2.3 Mg5 O10 Si2 | P 21/b 1 1 | 4.752; 10.35; 7.914 108.71; 90; 90 | 368.666 | Yamamoto, K. The crystal structure of hydroxyl-chondrodite Acta Crystallographica, Section B, 1977, 33, 1481-1485 |
| 9016667 | CIF | Mn O2 | I 4/m | 9.815; 9.815; 2.847 90; 90; 90 | 274.264 | Kondrashev, Y. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186 |
| 9016668 | CIF | Cu1.84 S | F m -3 m | 5.582; 5.582; 5.582 90; 90; 90 | 173.928 | Yamamoto, K.; Kashida, S. X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu1.8S (high), T = 393 K Journal of Solid State Chemistry, 1991, 93, 202-211 |
| 9016669 | CIF | H12 Mg3.864 O22 Si6 | P n c n | 13.3638; 27.0034; 5.2716 90; 90; 90 | 1902.35 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample GRA25 Note: T = 25 C American Mineralogist, 2011, 96, 1443-1454 |
| 9016670 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.784; 9.1338; 5.1924 90; 101.753; 90 | 454.291 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 15 K American Mineralogist, 2012, 97, 694-706 |
| 9016672 | CIF | F1.54 Fe0.07 H0.46 Mg4.93 O8.46 Si2 | P 21/b 1 1 | 4.7204; 10.236; 7.8252 109.11; 90; 90 | 357.262 | Berry, A. J.; James, M. Refinement of hydrogen positions in natural chondrodite by powder neutron diffraction: implications for the stability of humite minerals Mineralogical Magazine, 2002, 66, 441-449 |
| 9016673 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4893; 11.4893; 11.4893 90; 90; 90 | 1516.63 | 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 = 622.9 K American Mineralogist, 2011, 96, 1593-1605 |
| 9016674 | CIF | Al1.94 Ca3 F1.2 Fe0.06 H2.64 O10.8 Si2.04 | I a -3 d | 12.037; 12.037; 12.037 90; 90; 90 | 1744.03 | Chakhmouradian, A. R.; Cooper, M. A.; Medici, L.; Hawthorne, F. C.; Adar, F. Fluorine-rich hibschite from silicocarbonatite, Afrikanda Complex, Russia: Crystal chemistry and conditions of crystallization The Canadian Mineralogist, 2008, 46, 1033-1042 |
| 9016675 | CIF | C Fe3 | P b n m | 4.525; 5.088; 6.74 90; 90; 90 | 155.176 | Lyashchenko, B. G.; Sorokin, L. M. Determination of the position of carbon in cementite by the neutron diffraction method Soviet Physics Crystallography, 1963, 8, 300-304 |
| 9016676 | CIF | Al1.46 Fe0.541 Mg1.001 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | 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 750 C Annealing time = 240 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016677 | CIF | C Fe2.7 Mn0.3 | P n m a | 5.0598; 6.7462; 4.5074 90; 90; 90 | 153.857 | Fasiska, E. J.; Jeffery, G. A. On the cementite structure Acta Crystallographica, 1965, 19, 463-471 |
| 9016678 | CIF | H12 Li2 O20 Se2 U3 | P 1 21/c 1 | 7.5213; 7.0071; 17.3282 90; 98.834; 90 | 902.406 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 5 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9016679 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.5023; 11.5023; 11.5023 90; 90; 90 | 1521.79 | 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 = 723.0 K American Mineralogist, 2011, 96, 1593-1605 |
| 9016680 | CIF | Al1.356 Ca1.09 Ce0.42 Fe1.134 H La0.49 Mg0.05 Mn0.29 O13 Si3 Ti0.17 | P 1 21/m 1 | 8.938; 5.789; 10.153 90; 114.54; 90 | 477.884 | Kolitsch, U.; Mills, S. J.; Miyawaki, R.; Blass, G. Ferriallanite-(La), a new member of the epidote supergroup from the Eifel, Germany European Journal of Mineralogy, 2012, 24, 741-747 |
| 9016681 | CIF | Fe5 Si3 | P 63/m c m | 6.6752; 6.6752; 4.649 90; 90; 120 | 179.398 | 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 = 11 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9016684 | CIF | C2 Ca K2 O6 | R -3 m :H | 5.3822; 5.3822; 18.156 90; 90; 120 | 455.481 | Effenberger, H.; Langhof, H. On the aplanarity of the CO3 group in buetschliite, dipotassium calcium dicarbonate, K2Ca(CO3)2: a further refinement of the atomic arrangement Acta Crystallographica, Section C, 1984, 40, 1299-1300 |
| 9016686 | CIF | Ag1.994 As2 Cd1.58 Pb0.426 S6 | P 43 2 2 | 5.5229; 5.5229; 33.399 90; 90; 90 | 1018.75 | Bindi, L.; Spry, P. G.; Bonazzi, P.; Makovicky, E.; Balic-Zunic T Quadratite, AgCdAsS3:Chemical composition, crystal structure and OD character American Mineralogist, 2013, 98, 242-247 |
| 9016687 | CIF | Ca1.325 K2 Mg0.67 O12 S3 | P 21 3 | 10.19; 10.19; 10.19 90; 90; 90 | 1058.09 | Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Yapaskurt, V. O.; Chukanov, N. V.; Belakovskiy, D. I.; Pushcharovsky, D. Y. Calciolangbeinite, K2Ca2(SO4)3, a new mineral from the Tolbachik volcano, Kamchatka, Russia Mineralogical Magazine, 2012, 76, 673-682 |
| 9016689 | CIF | Cr Mn2 O9 Pb2 | P -1 | 5.0278; 7.5865; 10.2808 91.968; 99.405; 109.159 | 363.813 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Bottrill, R. S.; Kolitsch, U. Reynoldsite, Pb2Mn4+2O5(CrO4), a new phyllomanganate-chromate from the Blue Bell claims, California and the Red Lead mine, Tasmania American Mineralogist, 2012, 97, 1187-1192 |
| 9016690 | CIF | Ba Ca2 O9 Si3 | P -1 | 6.733; 9.608; 6.685 69.64; 102.29; 96.89 | 395.65 | Basciano, L. C. Mineralogy and crystal structures of barium silicate minerals from Fresno County, California Master's Thesis, University of British Columbia, 1999, 1999, 1-164 |
| 9016691 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4401; 11.4401; 11.4401 90; 90; 90 | 1497.23 | 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 = 96.7 K American Mineralogist, 2011, 96, 1593-1605 |
| 9016692 | CIF | Ca2 Fe4 O12 Sb Y | I a -3 d | 12.521; 12.521; 12.521 90; 90; 90 | 1962.98 | Berry, F. J.; Davalos, J.; Greaves, C.; Marco, J. F.; Slaski, M.; Slater, P. R.; Vithal, M. Magnetic ordering in the garnet YCa2SbFe4O12 T = 10 K Journal of Solid State Chemistry, 1995, 115, 435-440 |
| 9016693 | CIF | Al4 As3 H10.416 K0.222 Na0.57 O19.104 | P -4 3 m | 7.728; 7.728; 7.728 90; 90; 90 | 461.531 | Rumsey, M. S.; Mills, S. J.; Spratt, J. Natropharmacoalumite, NaAl4[(OH)4(AsO4)3]*4H2O, a new mineral of the pharmacosiderite supergroup and the renaming of aluminopharmacosiderite to pharmacoalumite Mineralogical Magazine, 2010, 74, 929-936 |
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