Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015940 | CIF | Al0.66 As0.48 B3 Ca3.15 F11.16 Fe0.27 Mn0.03 Na0.27 O39.64 P0.05 Si6.69 Sm7.71 Y4.38 | R 3 m :H | 10.675; 10.675; 27.02 90; 90; 120 | 2666.56 | Raade, G.; Johnsen, O.; Erambert, M.; Petersen, O. V. Hundholmenite-(Y) from Norway - a new mineral species in the vicanite group: descriptive data and crystal structure Mineralogical Magazine, 2007, 71, 179-192 |
| 9015942 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9596; 7.9644; 5.7416 90; 90; 90 | 226.795 | 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, low-temperature experiment American Mineralogist, 2012, 97, 707-712 |
| 9015946 | CIF | Al1.608 Fe0.389 Mg1.003 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 = 3069 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015949 | CIF | Al Ca0.5 O4 Si | P 1 21 1 | 8.22; 8.951; 4.828 90; 90; 90 | 355.231 | Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P. The crystal structure of svyatoslavite and evolution of complexity during crystallization of a CaAl2Si2O8 melt: A structural automata description The Canadian Mineralogist, 2012, 50, 585-592 |
| 9015950 | CIF | O4 Pb W | I 41/a :2 | 5.456; 5.456; 12.02 90; 90; 90 | 357.811 | Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V. Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Note: scheelite structure Journal of Alloys and Compounds, 1996, 238, 46-48 |
| 9015955 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.3549; 14.541; 5.5524 90; 90; 90 | 432.341 | 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 = 3.729 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015956 | CIF | Al8.367 B3.48 Be0.03 Ca0.252 Fe0.336 H3.31 Li0.273 Mg0.012 Mn0.015 Na0.478 O31 Si5.244 Ti0.009 | R 3 m :H | 15.7959; 15.7959; 7.0815 90; 90; 120 | 1530.19 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T3 American Mineralogist, 2004, 89, 447-454 |
| 9015957 | CIF | B6 H8 O14 Sr | P 1 21/a 1 | 14.36; 8.198; 9.93 90; 113.92; 90 | 1068.59 | Clark, J. R. Boron-oxygen polyanion in the crystal structure of tunellite Science, 1963, 141, 1178-1179 |
| 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 |
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