Mg(VS2)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent S(2) atoms to form MgS4 tetrahedra that share corners with twelve equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 64°. V(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form VS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra and edges with six equivalent V(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded to one Mg(1) and three equivalent V(1) atoms to form a mixture of corner and edge-sharing SMgV3 tetrahedra. In the second S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms.
Mg(VS2)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent S(2) atoms to form MgS4 tetrahedra that share corners with twelve equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 64°. All Mg(1)-S(2) bond lengths are 2.39 Å. V(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form VS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra and edges with six equivalent V(1)S6 octahedra. All V(1)-S(1) bond lengths are 2.34 Å. All V(1)-S(2) bond lengths are 2.50 Å. There are two inequivalent S sites. In the first S site, S(2) is bonded to one Mg(1) and three equivalent V(1) atoms to form a mixture of corner and edge-sharing SMgV3 tetrahedra. In the second S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms.