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DOE OSTI · 1705938

Materials Data on UVSe3 by Materials Project

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Abstract

UVSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded in a 6-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.84–3.30 Å. V3+ is bonded to six Se2- atoms to form corner-sharing VSe6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are two shorter (2.57 Å) and four longer (2.62 Å) V–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent U3+ and two equivalent V3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent U3+ and two equivalent V3+ atoms to form distorted corner-sharing SeU2V2 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureSe-U-VUVSe3

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2020-05-02. Materials Data on UVSe3 by Materials Project. https://doi.org/10.17188/1705938

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