Crystallography Open Database

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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
9016216	CIF	Al7.767 B3 F0.57 H6 Mn1.233 Na0.666 O30.43 Si6	R 3 m :H	15.951; 15.951; 7.138 90; 90; 120	1572.83	Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3 American Mineralogist, 2012, 97, 1402-1416
9016218	CIF	Al0.04 As2.16 Ba0.468 Fe3.96 H9.04 K0.039 Na0.021 O18.52 P0.84	P -4 3 m	7.942; 7.942; 7.942 90; 90; 90	500.945	Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D. The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite Note: sample Bariopharmacosiderite-C The Canadian Mineralogist, 2010, 48, 1477-1485
9016220	CIF	Ca H7 K O13 Si4	P 1 21/c 1	6.4897; 6.9969; 26.714 90; 94.597; 90	1209.12	Zubkova, N. V.; Filinchuk, Y. E.; Pekov, I. V.; Pushcharovsky, D. Y.; Gobechiya, E. R. Crystal structures of shlykovite and cryptophyllite: comparative crystal chemistry of phyllosilicate minerals of the mountainite family European Journal of Mineralogy, 2010, 22, 547-555
9016221	CIF	Ba O9 Si3 Ti	P -6 c 2	6.5689; 6.5689; 9.6804 90; 90; 120	361.751	Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 3.56 GPa American Mineralogist, 2012, 97, 1749-1763
9016223	CIF	C Ca O3	P m c n	4.9624; 7.9989; 5.7714 90; 90; 90	229.088	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 = 175 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236

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