Crystal structure of pseudojohannite, with a revised formula Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12

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Authors

PLÁŠIL Jakub FEJFAROVÁ Karla WALLWORK Kia Sheree DUŠEK Michal ŠKODA Radek SEJKORA Jiří ČEJKA Jiří VESELOVSKÝ František HLOUŠEK Jan MEISSER Nicolas BRUGGER Joel

Year of publication 2012
Type Article in Periodical
Magazine / Source American Mineralogist
MU Faculty or unit

Faculty of Science

Citation
Doi http://dx.doi.org/10.2138/am.2012.4127
Field Solid matter physics and magnetism
Keywords Pseudojohannite; zippeite group; uranyl sulfate; X ray diffraction; crystal structure; chemical composition
Description The crystal structure of pseudojohannite from White Canyon, Utah, was solved by charge-flipping from single-crystal X-ray diffraction data and refined to an Robs = 0.0347, based on 2664 observed reflections. Pseudojohannite from White Canyon is triclinic, P-1, with a = 8.6744(4), b = 8.8692(4), c = 10.0090(5) A, alpha = 72.105(4)degrees, beta = 70.544(4)degrees, gamma = 76.035(4)degrees, and V = 682.61(5) A^3, with Z = 1 and chemical formula Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12. The crystal structure of pseudojohannite is built up from sheets of zippeite topology that do not contain any OH groups; these sheets are identical to those found in zippeites containing Mg2+, Co2+, and Zn2+. The two Cu2+ sites in pseudojohannite are [5]- and [6]-coordinated by H2O molecules and OH groups. The crystal structure of the pseudojohannite holotype specimen from Jáchymov was refined using Rietveld refinement of high-resolution powder diffraction data. Results indicate that the crystal structures of pseudojohannite from White Canyon and Jáchymov are identical.
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