Materials Data on V2O5 by Materials Project

Abstract

V2O5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to four equivalent O2- atoms. All O–O bond lengths are 2.74 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ and two equivalent O2- atoms. In the third O2- site, O2- is bonded to four equivalent V5+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids.