Materials Data on V3O7 by Materials Project

Abstract

V3O7 crystallizes in the trigonal P31c space group. The structure is one-dimensional and consists of one V3O7 ribbon oriented in the (0, 0, 1) direction. there are three inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.60–1.99 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.59–1.95 Å. In the third V+4.67+ site, V+4.67+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.61–2.05 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom.