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
9014808 CIFAl5.805 B3 Ca0.09 F0.35 Fe0.48 H3.65 K0.01 Mg2.643 Mn0.06 Na0.84 Ni0.021 O30.65 Si5.982 Ti0.021 Zn0.009R 3 m :H15.945; 15.945; 7.21
90; 90; 120		1587.5Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E.
Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions
American Mineralogist, 2010, 95, 1-10
9014809 CIFBe OP 63 m c2.714; 2.714; 4.405
90; 90; 120		28.099Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 1073 K
Journal of Applied Physics, 1986, 59, 3728-3733
9014810 CIFCr2 O3R -3 c :H4.8949; 4.8949; 13.432
90; 90; 120		278.714Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 8.1 GPa
American Mineralogist, 2012, 97, 1764-1770
9014816 CIFAl2 Co0.75 O4 Zn0.25F d -3 m :28.10011; 8.10011; 8.10011
90; 90; 90		531.463Ardit, M.; Cruciani, G.; Dondi, M.
Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.049, Co content = 0.75 apfu
American Mineralogist, 2012, 97, 1394-1401
9014818 CIFH8 O12 P2 Zn3P b n m5.0135; 10.6044; 18.2828
90; 90; 90		972.008Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G.
The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: alpha-hopeite
Chemistry - A European Journal, 2004, 10, 2795-2803

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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.