Mg2LaV3S8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form MgS4 tetrahedra that share corners with three equivalent La(1)S6 octahedra, corners with three equivalent V(1)S6 octahedra, and corners with six equivalent V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-70°. La(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. In the second V site, V(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and edges with two equivalent V(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), and two equivalent V(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one V(1), and one V(2) atom.
Mg2LaV3S8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form MgS4 tetrahedra that share corners with three equivalent La(1)S6 octahedra, corners with three equivalent V(1)S6 octahedra, and corners with six equivalent V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-70°. The Mg(1)-S(1) bond length is 2.54 Å. The Mg(1)-S(2) bond length is 2.46 Å. Both Mg(1)-S(3) bond lengths are 2.47 Å. La(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. Both La(1)-S(2) bond lengths are 2.81 Å. All La(1)-S(3) bond lengths are 2.80 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. Both V(1)-S(1) bond lengths are 2.53 Å. All V(1)-S(3) bond lengths are 2.45 Å. In the second V site, V(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and edges with two equivalent V(2)S6 octahedra. Both V(2)-S(1) bond lengths are 2.53 Å. Both V(2)-S(2) bond lengths are 2.45 Å. Both V(2)-S(3) bond lengths are 2.45 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), and two equivalent V(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one V(1), and one V(2) atom.