Materials Data on MnMoO4 by Materials Project

Abstract

MnMoO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Mo–O bond distances ranging from 1.82–2.18 Å. Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Mn–O bond distances ranging from 2.12–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two equivalent Mn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Mn2+ atom.