Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
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