Crystallography Open Database

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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
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

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