Mg(ScS2)2 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted MgS4 tetrahedra that share corners with two equivalent Sc(1)S6 octahedra, corners with four equivalent Sc(2)S6 octahedra,  an edgeedge with one Sc(2)S6 octahedra, and edges with two equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-70°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form ScS6 octahedra that share corners with four equivalent Sc(2)S6 octahedra, corners with two equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sc(1)S6 octahedra, edges with two equivalent Sc(2)S6 octahedra, and edges with two equivalent Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Sc site, Sc(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form ScS6 octahedra that share corners with four equivalent Sc(1)S6 octahedra, corners with four equivalent Sc(2)S6 octahedra, corners with four equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sc(1)S6 octahedra, and  an edgeedge with one Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), and two equivalent Sc(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(2), and two equivalent Sc(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Sc(2), and two equivalent Sc(1) atoms to form distorted corner-sharing SMgSc3 tetrahedra.
Mg(ScS2)2 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted MgS4 tetrahedra that share corners with two equivalent Sc(1)S6 octahedra, corners with four equivalent Sc(2)S6 octahedra,  an edgeedge with one Sc(2)S6 octahedra, and edges with two equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-70°. The Mg(1)-S(2) bond length is 2.47 Å. The Mg(1)-S(3) bond length is 2.38 Å. Both Mg(1)-S(1) bond lengths are 2.44 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form ScS6 octahedra that share corners with four equivalent Sc(2)S6 octahedra, corners with two equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sc(1)S6 octahedra, edges with two equivalent Sc(2)S6 octahedra, and edges with two equivalent Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-52°. Both Sc(1)-S(1) bond lengths are 2.63 Å. Both Sc(1)-S(2) bond lengths are 2.62 Å. Both Sc(1)-S(3) bond lengths are 2.53 Å. In the second Sc site, Sc(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form ScS6 octahedra that share corners with four equivalent Sc(1)S6 octahedra, corners with four equivalent Sc(2)S6 octahedra, corners with four equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sc(1)S6 octahedra, and  an edgeedge with one Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Sc(2)-S(2) bond length is 2.57 Å. The Sc(2)-S(3) bond length is 2.57 Å. There are two shorter (2.65 Å) and two longer (2.68 Å) Sc(2)-S(1) bond lengths. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), and two equivalent Sc(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(2), and two equivalent Sc(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Sc(2), and two equivalent Sc(1) atoms to form distorted corner-sharing SMgSc3 tetrahedra.