Materials Data on MnVO3 by Materials Project

Abstract

MnVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of V–O bond distances ranging from 1.90–2.02 Å. Mn2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.12–2.68 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent V4+ and two equivalent Mn2+ atoms to form distorted corner-sharing OMn2V2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent V4+ and three equivalent Mn2+ atoms.