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DOE OSTI · 1717017

Materials Data on VH6(OF)3 by Materials Project

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Abstract

VOF3(H2)3O2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three hydrogen molecules, one hydrogen peroxide molecule, and one VOF3 cluster. In the VOF3 cluster, V3+ is bonded in a tetrahedral geometry to one O2- and three F1- atoms. The V–O bond length is 1.60 Å. All V–F bond lengths are 1.76 Å. O2- is bonded in a single-bond geometry to one V3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one V3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one V3+ atom.

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36 MATERIALS SCIENCEcrystal structureF-H-O-VVH6(OF)3

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2020-04-29. Materials Data on VH6(OF)3 by Materials Project. https://doi.org/10.17188/1717017

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DOE OSTI2026

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