Bond valence parameters linearly dependent on the molybdenum oxidation states |
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Authors: | Mingdan Chen Zhaohui Zhou Shengzhi Hu |
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Institution: | (1) Department of Chemistry, Institute of Physical Chemistry, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, 361005 Xiamen, China |
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Abstract: | Based on the available crystal data, a linear correlation between R0, 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 R0-n for Mo-X (X: O, S, N, Cl and F) bonds were established. The oxidation-state independent Mo-O bond valence parameters, R0 = 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 para- meters are presented. |
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Keywords: | bond valence parameter Mo-O bond oxidation state valence sum rule |
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