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DOE OSTI · 1704075

Materials Data on VS4N3 by Materials Project

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Abstract

(VS4)2(N2)3 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of twelve ammonia molecules and four VS4 clusters. In each VS4 cluster, V5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of V–S bond distances ranging from 2.11–2.13 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one V5+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one V5+ atom. In the third S2- site, S2- is bonded in a single-bond geometry to one V5+ atom.

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36 MATERIALS SCIENCEcrystal structureN-S-VVS4N3

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2020-04-29. Materials Data on VS4N3 by Materials Project. https://doi.org/10.17188/1704075

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