Materials Data on MnFeO4 by Materials Project

Abstract

FeMnO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with two equivalent MnO6 octahedra. There is two shorter (1.90 Å) and four longer (1.95 Å) Mn–O bond length. Fe is bonded to four O atoms to form FeO4 tetrahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–57°. There is two shorter (1.83 Å) and two longer (1.91 Å) Fe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mn and one Fe atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Mn and one Fe atom.