Materials Data on V2ZnO5 by Materials Project

Abstract

V2ZnO5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. V4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. Zn2+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent V4+ and two equivalent Zn2+ atoms to form corner-sharing OV2Zn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent V4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V4+ and two equivalent Zn2+ atoms.