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Evaluation of oxidation state by the BVS method

AppNote XRD1113: Evaluation of oxidation state by the BVS method


The valence of metal ions in a crystal is an important structural parameter for understanding a material’s property and for designing new materials. There are numerous methods of experimentally determining the valence of a metal ion, including XAFS (X-ray Absorption Fine Structure), XPS (X-ray Photoelectron Spectroscopy), Mössbauer absorption spectroscopy, MEM (Maximum Entropy Method) and BVS (Bond Valence Sum). BVS is an empirical method based on Rietveld analysis that estimates the valence states based on the bond distances to neighboring atoms. Here, we illustrate the oxidation states of Mn oxides by BVS.

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