Crystallography Open Database

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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
9016441	CIF	Al Ba0.25 Ca F3.32 Fe12 H1.32 K0.25 Mn2 Na2.25 O46.68 P12 Sr0.25	B 1 1 2/b	16.476; 24.581; 9.996 90; 90; 105.79	3895.58	Krutik, V. M.; Pushcharovskii, D. Y.; Podebimskaya, E. A.; Belov, N. V. Crystal structure of arrojadite Kristallografiya, 1979, 24, 743-750
9016445	CIF	Al2.889 H6 K0.876 Na0.071 O14 S2	R -3 m :H	6.9859; 6.9859; 17.481 90; 90; 120	738.825	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 = 300 C Mineralogical Magazine, 2012, 76, 613-623
9016449	CIF	Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25	R -3 :H	10.3894; 10.3894; 20.8709 90; 90; 120	1950.98	Mills, S. J.; Bindi, L.; Cadoni, M.; Kampf, A. R.; Ciriotti, M. E.; Ferraris, G. Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group European Journal of Mineralogy, 2012, 24, 1061-1067
9016450	CIF	Ba O9 Si3 Ti	P 3 1 c	11.3382; 11.3382; 9.6584 90; 90; 120	1075.29	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 = 4.75 GPa American Mineralogist, 2012, 97, 1749-1763
9016452	CIF	B Ca H O5 Si	P 1 21/c 1	4.8298; 7.6002; 9.6321 90; 90.183; 90	353.568	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 = 130 K American Mineralogist, 2010, 95, 1413-1421

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