MgCu2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OMg2Cu2 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms.
MgCu2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. Both Mg(1)-O(2) bond lengths are 2.09 Å. All Mg(1)-O(1) bond lengths are 2.04 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. Both Cu(1)-O(1) bond lengths are 1.92 Å. Both Cu(1)-O(2) bond lengths are 1.95 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. Both Cu(2)-O(1) bond lengths are 1.93 Å. All Cu(2)-O(2) bond lengths are 2.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OMg2Cu2 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms.