Materials Data on VReO4 by Materials Project

Abstract

ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.01 Å) and four longer (2.02 Å) V–O bond lengths. Re3+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent VO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There is two shorter (1.90 Å) and four longer (2.03 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one V5+ and two equivalent Re3+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent V5+ and one Re3+ atom.