Materials Data on MnCoO4 by Materials Project

Abstract

MnCoO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent CoO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. All Mn–O bond lengths are 1.91 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.84 Å) and four longer (1.87 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mn4+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn4+ and one Co4+ atom.