Mg2Lu3MoS8 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 Mo(1)S6 octahedra and corners with nine equivalent Lu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. Lu(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form LuS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent Lu(1)S6 octahedra. Mo(1) is bonded to six equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Lu(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 Lu(1), and one Mo(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Lu(1) atoms.
Mg2Lu3MoS8 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 Mo(1)S6 octahedra and corners with nine equivalent Lu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. The Mg(1)-S(2) bond length is 2.43 Å. All Mg(1)-S(1) bond lengths are 2.50 Å. Lu(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form LuS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent Lu(1)S6 octahedra. Both Lu(1)-S(2) bond lengths are 2.65 Å. All Lu(1)-S(1) bond lengths are 2.68 Å. Mo(1) is bonded to six equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Lu(1)S6 octahedra. All Mo(1)-S(1) bond lengths are 2.56 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 Lu(1), and one Mo(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Lu(1) atoms.