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DOE OSTI · 1750276

Materials Data on VN3Cl5 by Materials Project

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Abstract

VNCl5N2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules and four VNCl5 clusters. In each VNCl5 cluster, V5+ is bonded in a trigonal bipyramidal geometry to one N and four Cl1- atoms. The V–N bond length is 1.80 Å. There are a spread of V–Cl bond distances ranging from 2.16–2.26 Å. N is bonded in a 1-coordinate geometry to one V5+ and one Cl1- atom. The N–Cl bond length is 1.59 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one V5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one N atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one V5+ atom.

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36 MATERIALS SCIENCECl-N-Vcrystal structureVN3Cl5

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2020-04-29. Materials Data on VN3Cl5 by Materials Project. https://doi.org/10.17188/1750276

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