CuMn2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. Cu(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CuO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Mn(4), and one Cu(1) atom. In the second O site, O(2) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMn3Cu trigonal pyramids. In the third O site, O(3) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMn3Cu trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(4), and one Cu(1) atom.
CuMn2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. Both Mn(1)-O(2) bond lengths are 1.99 Å. Both Mn(1)-O(3) bond lengths are 1.98 Å. Both Mn(1)-O(4) bond lengths are 2.22 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. Both Mn(2)-O(1) bond lengths are 2.02 Å. Both Mn(2)-O(2) bond lengths are 2.12 Å. Both Mn(2)-O(4) bond lengths are 1.96 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. Both Mn(3)-O(1) bond lengths are 2.11 Å. Both Mn(3)-O(2) bond lengths are 1.98 Å. Both Mn(3)-O(3) bond lengths are 1.99 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. Both Mn(4)-O(1) bond lengths are 2.03 Å. Both Mn(4)-O(3) bond lengths are 2.13 Å. Both Mn(4)-O(4) bond lengths are 1.95 Å. Cu(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CuO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. The Cu(1)-O(1) bond length is 1.98 Å. The Cu(1)-O(2) bond length is 2.01 Å. The Cu(1)-O(3) bond length is 2.01 Å. The Cu(1)-O(4) bond length is 2.01 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 Mn(2), one Mn(3), one Mn(4), and one Cu(1) atom. In the second O site, O(2) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMn3Cu trigonal pyramids. In the third O site, O(3) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMn3Cu trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(4), and one Cu(1) atom.