Materials Data on Cr2FeO4 by Materials Project

Abstract

FeCr2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with six equivalent CrO6 octahedra. There are four shorter (2.03 Å) and two longer (2.04 Å) Cr–O bond lengths. Fe2+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. All Fe–O bond lengths are 2.04 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Fe2+ atom.