Materials Data on Fe2CuO4 by Materials Project
CuFe2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent FeO6 octahedra. There are two shorter (2.04 Å) and four longer (2.05 Å) Fe–O bond lengths. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. All Cu–O bond lengths are 1.99 Å. O2- is bonded to three equivalent Fe3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OFe3Cu trigonal pyramids.
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