MgCu2O4 crystallizes in the orthorhombic Pbcm space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Cu(1) is bonded in a 4-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent Cu(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Cu(1) atoms to form corner-sharing OMg2Cu2 tetrahedra.
MgCu2O4 crystallizes in the orthorhombic Pbcm space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Both Mg(1)-O(2) bond lengths are 2.49 Å. There is one shorter (2.09 Å) and one longer (2.12 Å) Mg(1)-O(3) bond length. There are two shorter (2.19 Å) and two longer (2.23 Å) Mg(1)-O(1) bond lengths. Cu(1) is bonded in a 4-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Cu(1)-O(3) bond length is 1.84 Å. There is one shorter (1.83 Å) and one longer (1.84 Å) Cu(1)-O(1) bond length. There is one shorter (1.82 Å) and one longer (2.45 Å) Cu(1)-O(2) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent Cu(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Cu(1) atoms to form corner-sharing OMg2Cu2 tetrahedra.