MgSmMoS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Sm(1)S6 octahedra and corners with six equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. Sm(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form SmS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sm(1)S6 octahedra, and edges with four equivalent Mo(1)S6 octahedra. Mo(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent Sm(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), one Sm(1), and two equivalent Mo(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Sm(1), and one Mo(1) atom.
MgSmMoS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Sm(1)S6 octahedra and corners with six equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. Both Mg(1)-S(1) bond lengths are 2.55 Å. Both Mg(1)-S(2) bond lengths are 2.44 Å. Sm(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form SmS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sm(1)S6 octahedra, and edges with four equivalent Mo(1)S6 octahedra. Both Sm(1)-S(1) bond lengths are 2.80 Å. All Sm(1)-S(2) bond lengths are 2.75 Å. Mo(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent Sm(1)S6 octahedra. Both Mo(1)-S(2) bond lengths are 2.53 Å. All Mo(1)-S(1) bond lengths are 2.57 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), one Sm(1), and two equivalent Mo(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Sm(1), and one Mo(1) atom.