Revealing the local structure of CuMo1−xWxO4 solid solutions by multi-edge X-ray absorption spectroscopy

Abstract

The effect of tungsten substitution with molybdenum on the structure of CuMoWO (, 0.30, 0.50, 0.75) solid solutions was studied by multi-edge X-ray absorption spectroscopy. The simultaneous analysis of EXAFS spectra measured at several (Cu K-edge, Mo K-edge and W L-edge) absorption edges was performed by the reverse Monte Carlo method taking into account multiple-scattering effects. The degree of distortion of the coordination shells and its dependence on the composition were estimated from partial radial distribution functions (RDFs) and bond angle distribution functions (BADFs) . The analysis of partial RDFs suggests that the structure of solid solutions is mainly determined by the tungsten-related sublattice, while molybdenum atoms adapt to a locally distorted environment. As a result, the coordination of both tungsten and molybdenum atoms remains octahedral as in CuWO for all the studied compositions. --//-- This is a preprint of an article of I. Pudza, A. Anspoks, G. Aquilanti, A. Kuzmin, Revealing the local structure of CuMo1-xWxO4 solid solutions by multi-edge X-ray absorption spectroscopy, Mater. Res. Bull. 153 (2022) 111910. Doi: 10.1016/j.materresbull.2022.111910. The article is published under the CC BY-NC-ND licence.