Abstract
Four structural models of volborthite Cu3(OH)2(V2O7)·2H2O (a = 10.646(2) Å, b = 5.867(1) Å, c = 14.432(2) Å, β = 95.19(1)°, V = 897.7(5) Å3, Z = 4, R/R w = 0.038/0.046) calculated in the space groups determined from the systematic absences are compared. Based on the structure balance and the similarity of constituting polyhedra, values of the R factor, and isotropic thermal parameters, the space group Ia is found to be preferable, which is the only possible asymmetric and uniform variant. Hydrogen atoms of OH-groups, oxygen atoms and, partially, hydrogen atoms of water are localized.
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Original Russian Text Copyright © 2008 by A. A. Kashaev, I. V. Rozhdestvenskaya, I. I. Bannova, A. N. Sapozhnikov, and O. D. Glebova
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Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 4, pp. 736–740, May–June, 2008.
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Kashaev, A.A., Rozhdestvenskaya, I.V., Bannova, I.I. et al. Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)·2H2O. J Struct Chem 49, 708–711 (2008). https://doi.org/10.1007/s10947-008-0098-0
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DOI: https://doi.org/10.1007/s10947-008-0098-0