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DOE OSTI · 1721140

Materials Data on VPO7 by Materials Project

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Abstract

(VPO6)2O2 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two water molecules and one VPO6 sheet oriented in the (0, 0, 1) direction. In the VPO6 sheet, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.60–2.34 Å. P is bonded in a tetrahedral geometry to four equivalent O atoms. All P–O bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one V and one P atom. In the second O site, O is bonded in a single-bond geometry to one V atom. In the third O site, O is bonded in a single-bond geometry to one V atom.

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36 MATERIALS SCIENCEcrystal structureO-P-VVPO7

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2020-05-02. Materials Data on VPO7 by Materials Project. https://doi.org/10.17188/1721140

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