MgY2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a trigonal pyramidal geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(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 Y site, Y(2) is bonded in a 6-coordinate geometry to one S(2), one S(3), and four equivalent S(1) 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), two equivalent Y(1), and two equivalent Y(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Y(1), and one Y(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Y(2), and two equivalent Y(1) atoms.
MgY2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a trigonal pyramidal geometry to one S(2), one S(3), and two equivalent S(1) atoms. The Mg(1)-S(2) bond length is 2.34 Å. The Mg(1)-S(3) bond length is 2.45 Å. Both Mg(1)-S(1) bond lengths are 2.47 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), and four equivalent S(1) atoms. The Y(1)-S(2) bond length is 2.74 Å. There is one shorter (2.70 Å) and one longer (2.71 Å) Y(1)-S(3) bond length. There are two shorter (2.87 Å) and two longer (3.23 Å) Y(1)-S(1) bond lengths. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one S(2), one S(3), and four equivalent S(1) atoms. The Y(2)-S(2) bond length is 2.59 Å. The Y(2)-S(3) bond length is 2.77 Å. There are two shorter (2.78 Å) and two longer (2.89 Å) Y(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 Y(1), and two equivalent Y(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Y(1), and one Y(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Y(2), and two equivalent Y(1) atoms.