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DOE OSTI · 1740171

Materials Data on NbVO4 by Materials Project

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Abstract

NbVO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nb–O bond distances ranging from 1.99–2.35 Å. V3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.97–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nb5+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nb5+ and one V3+ atom.

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36 MATERIALS SCIENCEcrystal structureNb-O-VNbVO4

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2020-05-02. Materials Data on NbVO4 by Materials Project. https://doi.org/10.17188/1740171

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