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DOE OSTI · 1727855

Materials Data on V2O5 by Materials Project

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Abstract

V2O5 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one V2O5 sheet oriented in the (0, 0, 1) direction. V5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.81–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V5+ atoms.

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36 MATERIALS SCIENCEcrystal structureO-VV2O5

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2020-04-26. Materials Data on V2O5 by Materials Project. https://doi.org/10.17188/1727855

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