MgTiCu3O4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(4) atoms. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted edge-sharing TiO6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(4) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(2) and one O(3) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Cu(1), and one Cu(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Cu(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Cu(2), and two equivalent Cu(3) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent Ti(1), and one Cu(1) atom.
MgTiCu3O4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(4) atoms. The Mg(1)-O(1) bond length is 2.12 Å. Both Mg(1)-O(4) bond lengths are 2.07 Å. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted edge-sharing TiO6 octahedra. The Ti(1)-O(1) bond length is 1.98 Å. The Ti(1)-O(3) bond length is 1.89 Å. Both Ti(1)-O(2) bond lengths are 1.93 Å. Both Ti(1)-O(4) bond lengths are 2.26 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(4) atom. The Cu(1)-O(1) bond length is 1.86 Å. The Cu(1)-O(4) bond length is 1.89 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(2) and one O(3) atom. The Cu(2)-O(2) bond length is 1.86 Å. The Cu(2)-O(3) bond length is 1.88 Å. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. The Cu(3)-O(1) bond length is 1.97 Å. Both Cu(3)-O(3) bond lengths are 2.07 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 Mg(1), one Ti(1), one Cu(1), and one Cu(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Cu(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Cu(2), and two equivalent Cu(3) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent Ti(1), and one Cu(1) atom.