MgTi(CuS)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 9-coordinate geometry to one Ti(1), one Cu(2), one Cu(3), two equivalent Cu(1), one S(1), one S(3), and two equivalent S(2) atoms. Ti(1) is bonded in a 11-coordinate geometry to one Mg(1), one Cu(2), one Cu(3), four equivalent Cu(1), one S(1), one S(3), and two equivalent S(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), one S(1), one S(3), and two equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one Mg(1), one Ti(1), one S(1), one S(3), and two equivalent S(2) atoms. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one Mg(1), one Ti(1), one S(1), one S(3), and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Mg(1), one Ti(1), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded in a distorted hexagonal planar geometry to one Mg(1), one Ti(1), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms.
MgTi(CuS)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 9-coordinate geometry to one Ti(1), one Cu(2), one Cu(3), two equivalent Cu(1), one S(1), one S(3), and two equivalent S(2) atoms. The Mg(1)-Ti(1) bond length is 2.79 Å. The Mg(1)-Cu(2) bond length is 2.58 Å. The Mg(1)-Cu(3) bond length is 2.54 Å. Both Mg(1)-Cu(1) bond lengths are 2.72 Å. The Mg(1)-S(1) bond length is 3.07 Å. The Mg(1)-S(3) bond length is 2.58 Å. Both Mg(1)-S(2) bond lengths are 2.48 Å. Ti(1) is bonded in a 11-coordinate geometry to one Mg(1), one Cu(2), one Cu(3), four equivalent Cu(1), one S(1), one S(3), and two equivalent S(2) atoms. The Ti(1)-Cu(2) bond length is 2.78 Å. The Ti(1)-Cu(3) bond length is 2.69 Å. There are two shorter (2.87 Å) and two longer (2.89 Å) Ti(1)-Cu(1) bond lengths. The Ti(1)-S(1) bond length is 2.35 Å. The Ti(1)-S(3) bond length is 2.62 Å. Both Ti(1)-S(2) bond lengths are 2.35 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), one S(1), one S(3), and two equivalent S(2) atoms. The Cu(1)-S(1) bond length is 2.45 Å. The Cu(1)-S(3) bond length is 2.28 Å. There is one shorter (2.40 Å) and one longer (2.41 Å) Cu(1)-S(2) bond length. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one Mg(1), one Ti(1), one S(1), one S(3), and two equivalent S(2) atoms. The Cu(2)-S(1) bond length is 2.22 Å. The Cu(2)-S(3) bond length is 2.32 Å. Both Cu(2)-S(2) bond lengths are 2.63 Å. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one Mg(1), one Ti(1), one S(1), one S(3), and two equivalent S(2) atoms. The Cu(3)-S(1) bond length is 2.24 Å. The Cu(3)-S(3) bond length is 2.75 Å. Both Cu(3)-S(2) bond lengths are 2.78 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Mg(1), one Ti(1), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded in a distorted hexagonal planar geometry to one Mg(1), one Ti(1), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms.