Voronoi-Dirichlet Polyhedra of Uranium (ll-V) Atoms in Oxygen-Containing Compounds

Russian Journal of Coordination Chemistry, Vol. 22, No. 1, 1996, pp. 72-76. Translated from Koordinatsionnaya Khimiya, Vol. 22, No. 1, 1996, pp. 76-80. Original Russian Text Copyright © 1996 by Serezhkin, Blalov, Kuklina

Voronoi-Dirichlet Polyhedra of Uranium (ll-V) Atoms in Oxygen-Containing Compounds

V. N. Serezhkin, A. P. Shevehenko, and V. A. Blatov

Samara State University, Samara, Russia

Received May 11,1995

Abstract - Some features of the U(II-V) environment in oxygen-containing compounds are studied using the Voronoi-Dirichlet polyhedra (VDPs). The VDP volume of uranium atoms appears to be independent of the coordination number at a fixed oxidation state, and it regularly increases with a decrease in the oxidation state. The method of estimating the oxidation state of the uranium atoms in a crystal structure on the basis of geometric parameters of the VDPs is suggested. The advantages of applying the VDPs to determination of the coordination numbers of atoms in a crystal lattice are demonstrated by a number of examples.