Bond valence parameters linearly dependent on the molybdenum oxidation states

Abstract

Based on the available crystal data, a linear correlation between R-0, the bond valence parameter for a Mo-containing chemical bond, and the Mo oxidation state n was developed for the first time. Using the "universal" value of the parameter B = 0.037 nm, the linear equations of R-0-n for Mo-X (X: 0, S, N, Cl and F) bonds were established. The oxidation-state independent Mo-O bond valence parameters, R-0 = 0.18788 nm and B = 0.03046 nm, published recently have been shown to be a special case of the linearly correlated functions. Some bond valence sum calculations in compounds containing only Mo-O bonds using these parameters are presented.