Materials Data on CrCoO4 by Materials Project
CoCrO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–53°. There is two shorter (1.63 Å) and two longer (1.72 Å) Cr–O bond length. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are two shorter (2.06 Å) and four longer (2.11 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cr6+ and one Co2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr6+ and two equivalent Co2+ atoms.