Mg2La3MoS8 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 La(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. La(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent La(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 La(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 La(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 La(1) atoms.
Mg2La3MoS8 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 La(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. The Mg(1)-S(2) bond length is 2.42 Å. All Mg(1)-S(1) bond lengths are 2.58 Å. La(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent La(1)S6 octahedra. Both La(1)-S(2) bond lengths are 2.82 Å. All La(1)-S(1) bond lengths are 2.88 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 La(1)S6 octahedra. All Mo(1)-S(1) bond lengths are 2.61 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 La(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 La(1) atoms.