Materials Data on MnFeO4 by Materials Project

Abstract

FeMnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mn is bonded to six O atoms to form MnO6 octahedra that share corners with eight equivalent FeO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Mn–O bond distances ranging from 1.87–1.94 Å. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Fe–O bond distances ranging from 2.00–2.06 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Mn and one Fe atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Mn and two equivalent Fe atoms.