Crystallography Open Database

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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
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

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