AI Article Synopsis
- The hexagonal perovskite derivative BaVMoO has been synthesized and its crystal structure analyzed, revealing ordered cation vacancies on the M2 site.
- Unlike other similar compounds, BaVMoO has both barium and oxygen vacancies, resulting in a non-stoichiometric structure.
- Although it exhibits potential for oxide ion conductivity based on calculations, the compound's instability at lower temperatures limits further electrical property measurements.
Article Abstract
The hexagonal perovskite derivatives BaNbMoO, BaNbWO, and BaVWO have recently been reported to exhibit significant oxide ion conductivity. Here, we report the synthesis and crystal structure of the hexagonal perovskite derivative BaVMoO. Rietveld refinement from neutron and X-ray diffraction data show that the cation vacancies are ordered on the M2 site, leading to a structure consisting of palmierite-like layers of M1O polyhedra separated by vacant octahedral layers. In contrast to other members of the BaM'M″O family, BaVMoO is not stoichiometric and both barium and oxygen vacancies are present. Although synthesized in air at elevated temperatures, BaVMoO is unstable at lower temperatures, as illustrated by the formation of BaCO and BaMoO by heat treatment in air at 400 °C. This precludes measurement of the electrical properties. However, bond-valence site energy (BVSE) calculations strongly suggest that oxide ion conductivity is present in BaVMoO.
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