Materials Data on V2CuO8 by Materials Project

Abstract

V2CuO8 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one V2CuO8 sheet oriented in the (0, 1, 0) direction. V is bonded to four O atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.81 Å. Cu is bonded in a distorted square co-planar geometry to four O atoms. There is two shorter (1.75 Å) and two longer (1.85 Å) Cu–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent V atoms. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one V and one Cu atom. In the third O site, O is bonded in a linear geometry to two equivalent V atoms. In the fourth O site, O is bonded in a single-bond geometry to one V atom. In the fifth O site, O is bonded in a single-bond geometry to one Cu atom.