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DOE OSTI · 1275731

Materials Data on V5Si3 by Materials Project

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Abstract

V5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded to five equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing VSi5 trigonal bipyramids. There are a spread of V–Si bond distances ranging from 2.46–2.65 Å. In the second V+2.40+ site, V+2.40+ is bonded in a 6-coordinate geometry to two equivalent V+2.40+ and six equivalent Si4- atoms. Both V–V bond lengths are 2.42 Å. All V–Si bond lengths are 2.50 Å. Si4- is bonded in a 9-coordinate geometry to nine V+2.40+ atoms.

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36 MATERIALS SCIENCEcrystal structureSi-VV5Si3

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2020-07-15. Materials Data on V5Si3 by Materials Project. https://doi.org/10.17188/1275731

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