Mg2Sc3VS8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(2) and three equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent V(1)S6 octahedra and corners with nine equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. Sc(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ScS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Sc(1)S6 octahedra. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Sc(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Sc(1), and one V(1) atom. In the second S site, S(2) is bonded to one Mg(1) and three equivalent Sc(1) atoms to form distorted corner-sharing SMgSc3 trigonal pyramids.
Mg2Sc3VS8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(2) and three equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent V(1)S6 octahedra and corners with nine equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. The Mg(1)-S(2) bond length is 2.42 Å. All Mg(1)-S(1) bond lengths are 2.46 Å. Sc(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ScS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Sc(1)S6 octahedra. Both Sc(1)-S(2) bond lengths are 2.57 Å. All Sc(1)-S(1) bond lengths are 2.59 Å. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Sc(1)S6 octahedra. All V(1)-S(1) bond lengths are 2.49 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Sc(1), and one V(1) atom. In the second S site, S(2) is bonded to one Mg(1) and three equivalent Sc(1) atoms to form distorted corner-sharing SMgSc3 trigonal pyramids.