Materials Data on Cr2CuO4 by Materials Project

CuCr2O4 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 CuO4 tetrahedra and edges with six equivalent CrO6 octahedra. All Cr–O bond lengths are 2.01 Å. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 57–64°. All Cu–O bond lengths are 2.00 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.