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DOE OSTI · 1746400

Materials Data on U3VSb5 by Materials Project

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Abstract

U3VSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U+3.33+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.12–3.27 Å. V5+ is bonded to six equivalent Sb3- atoms to form face-sharing VSb6 octahedra. All V–Sb bond lengths are 2.79 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to five equivalent U+3.33+ and two equivalent V5+ atoms to form a mixture of face, edge, and corner-sharing SbU5V2 pentagonal bipyramids. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six equivalent U+3.33+ and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 3.04 Å.

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36 MATERIALS SCIENCEcrystal structureSb-U-VU3VSb5

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2020-05-03. Materials Data on U3VSb5 by Materials Project. https://doi.org/10.17188/1746400

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