Materials Data on MgVO3 by Materials Project

Abstract

MgVO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (1.96 Å) and four longer (2.07 Å) Mg–O bond lengths. V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent V4+ atoms to form a mixture of distorted edge and corner-sharing OMg2V2 trigonal pyramids. In the second O2- site, O2- is bonded in a linear geometry to one Mg2+ and one V4+ atom.