CuFeO2 crystallizes in the trigonal R-3m space group. Fe(1) is bonded to six equivalent O(1) atoms to form edge-sharing FeO6 octahedra. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Fe(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OFe3Cu trigonal pyramids.
CuFeO2 crystallizes in the trigonal R-3m space group. Fe(1) is bonded to six equivalent O(1) atoms to form edge-sharing FeO6 octahedra. All Fe(1)-O(1) bond lengths are 1.93 Å. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. Both Cu(1)-O(1) bond lengths are 1.84 Å. O(1) is bonded to three equivalent Fe(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OFe3Cu trigonal pyramids.