Crystallography Open Database

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COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
9014906 CIFCa0.51 Fe0.33 Mg0.35 Mn3.81 O15 Si5P -16.6818; 7.633; 11.795
105.49; 92.49; 94.01		577.092Leverett, P.; Williams, P. A.; Hibbs, D. E.
Ca-Mg-Fe-rich rhodonite from the Morro da Mina mine, Conselheiro Lafaiete, Minas Gerais, Brazil
The Mineralogical Record, 2008, 39, 125-130
9014907 CIFC2 H5 N OR 3 c :H11.513; 11.513; 12.883
90; 90; 120		1478.85Jeffrey, G. A.; Ruble, J. R.; McMullan, R. K.; DeFrees, D. J.; Binkley, J. S.; Pople, J. A.
Neutron diffraction at 23 K and ab initio molecular-orbital studies of molecular structure of acetamide Note: T = 23 K
Acta Crystallographica, Section B, 1980, 36, 2292-2299
9014909 CIFC1.72 H18 O10F d -3 m :117.175; 17.175; 17.175
90; 90; 90		5066.29Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R.
Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K
Journal of the American Chemical Society, 2004, 126, 9407-9412
9014910 CIFCu2 O7 V2P 17.687; 5.54982; 10.09
104; 110.45; 46.17		290.958Yashima, M.; Suzuki, R. O.
Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: this is a modification of the monoclinic structure from the Calvo & Faggiani (1975) paper, in the triclinic setting
Physical Review B, 2009, 79, 125201-125206
9014911 CIFCa0.055 Fe0.08 Mg0.055 Mn0.215 Na4.75 Nb0.255 O13 P Si2 Ta0.005 Ti1.415 Zr0.055P -15.417; 7.119; 14.487
99.957; 96.711; 90.36		546.286Camara, F.; Sokolova, E.; Hawthorne, F. C.; Abdu, Y.
From structure topology to chemical composition. IX. Titanium silicates: revision of the crystal chemistry of lomonosovite and murmanite, Group-IV minerals
Mineralogical Magazine, 2008, 72, 1207-1228

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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.