MgLu2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), and four equivalent S(1) atoms. In the second Lu site, Lu(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form distorted edge-sharing LuS6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Lu(1), and two equivalent Lu(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Lu(1), and one Lu(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Lu(2), and two equivalent Lu(1) atoms.
MgLu2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one S(2), one S(3), and two equivalent S(1) atoms. The Mg(1)-S(2) bond length is 2.35 Å. The Mg(1)-S(3) bond length is 2.45 Å. Both Mg(1)-S(1) bond lengths are 2.49 Å. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), and four equivalent S(1) atoms. The Lu(1)-S(2) bond length is 2.67 Å. There is one shorter (2.62 Å) and one longer (2.63 Å) Lu(1)-S(3) bond length. There are two shorter (2.78 Å) and two longer (3.30 Å) Lu(1)-S(1) bond lengths. In the second Lu site, Lu(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form distorted edge-sharing LuS6 pentagonal pyramids. The Lu(2)-S(2) bond length is 2.54 Å. The Lu(2)-S(3) bond length is 2.70 Å. There are two shorter (2.72 Å) and two longer (2.79 Å) Lu(2)-S(1) bond lengths. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Lu(1), and two equivalent Lu(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Lu(1), and one Lu(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Lu(2), and two equivalent Lu(1) atoms.