Abstract
Abstract An accurate method for evaluating the bond-valence parameters R1 and B of a chemical bond has been proposed. It is based on the use of a plot reporting the distortion of a coordination polyhedron against the valence of the central atom. The bond-valence parameters for the MoO bond in MoO6 octahedra have been calculated as 1.8786(2) and 0.3049(3) A. R1 and B do not depend on the oxidation state of Mo in the range from +3 to +6; moreover, for the MoVIO bond, R1 and B do not significantly depend on the coordination number of Mo. For the VO bond in VO6 octahedra, the value R1=1.7884(5) A has been evaluated for every vanadium oxidation state in the range from +2 to +5, whereas the parameter B linearly depends on the vanadium oxidation state according to the relationship B=0.0173z+0.2646. The bond-valence parameters for the PVO and SiO bonds have been determined as (1.6154(2) A, 0.3555(3) A) and (1.6078(2) A, 0.3973(12) A), respectively.
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