Materials Data on FeCoO4 by Materials Project

Abstract

CoFeO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with eight equivalent CoO6 octahedra and edges with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Fe–O bond distances ranging from 1.94–2.03 Å. Co is bonded to six O atoms to form CoO6 octahedra that share corners with eight equivalent FeO6 octahedra and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There is four shorter (1.86 Å) and two longer (1.89 Å) Co–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Fe and one Co atom. In the second O site, O is bonded in a trigonal planar geometry to one Fe and two equivalent Co atoms.