CuCr2O4 is Spinel structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra, corners with three equivalent Cu(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra, corners with three equivalent Cu(2)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form CuO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(2), and one Cu(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(2), and one Cu(1) atom.
CuCr2O4 is Spinel structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra, corners with three equivalent Cu(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The Cr(1)-O(1) bond length is 2.01 Å. The Cr(1)-O(4) bond length is 2.03 Å. Both Cr(1)-O(2) bond lengths are 2.02 Å. Both Cr(1)-O(3) bond lengths are 2.02 Å. In the second Cr site, Cr(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra, corners with three equivalent Cu(2)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The Cr(2)-O(2) bond length is 2.03 Å. The Cr(2)-O(3) bond length is 2.01 Å. Both Cr(2)-O(1) bond lengths are 2.02 Å. Both Cr(2)-O(4) bond lengths are 2.02 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form CuO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. Both Cu(1)-O(3) bond lengths are 2.02 Å. Both Cu(1)-O(4) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. Both Cu(2)-O(1) bond lengths are 2.02 Å. Both Cu(2)-O(2) bond lengths are 1.97 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(2), and one Cu(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(2), and one Cu(1) atom.