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