Mg2YW3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Y(1)S6 octahedra and corners with nine equivalent W(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. Y(1) is bonded to six equivalent S(2) atoms to form YS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent W(1)S6 octahedra. W(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent W(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Y(1), and two equivalent W(1) atoms.
Mg2YW3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Y(1)S6 octahedra and corners with nine equivalent W(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. The Mg(1)-S(1) bond length is 2.49 Å. All Mg(1)-S(2) bond lengths are 2.45 Å. Y(1) is bonded to six equivalent S(2) atoms to form YS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent W(1)S6 octahedra. All Y(1)-S(2) bond lengths are 2.71 Å. W(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. Both W(1)-S(1) bond lengths are 2.53 Å. All W(1)-S(2) bond lengths are 2.49 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent W(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Y(1), and two equivalent W(1) atoms.