Materials Data on V2Zn2O7 by Materials Project

Abstract

Zn2V2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is two shorter (1.72 Å) and two longer (1.78 Å) V–O bond length. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms.