MgVWS4 is Hausmannite-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent V(1)S6 octahedra, corners with three equivalent V(2)S6 octahedra, and corners with six equivalent W(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(2)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. In the second V site, V(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. W(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with two equivalent W(1)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(2), and one W(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), and two equivalent W(1) atoms. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent W(1) atoms.
MgVWS4 is Hausmannite-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent V(1)S6 octahedra, corners with three equivalent V(2)S6 octahedra, and corners with six equivalent W(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. The Mg(1)-S(2) bond length is 2.43 Å. The Mg(1)-S(3) bond length is 2.43 Å. Both Mg(1)-S(1) bond lengths are 2.37 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(2)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. Both V(1)-S(3) bond lengths are 2.48 Å. All V(1)-S(1) bond lengths are 2.46 Å. In the second V site, V(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. Both V(2)-S(2) bond lengths are 2.48 Å. All V(2)-S(1) bond lengths are 2.45 Å. W(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with two equivalent W(1)S6 octahedra. Both W(1)-S(1) bond lengths are 2.46 Å. Both W(1)-S(2) bond lengths are 2.47 Å. Both W(1)-S(3) bond lengths are 2.47 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(2), and one W(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), and two equivalent W(1) atoms. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent W(1) atoms.