MgTiMoS4 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 Ti(1)S6 octahedra and corners with six equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. Ti(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ti(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 Ti(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Ti(1), and two equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing SMgTiMo2 trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one Mo(1) atom.
MgTiMoS4 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 Ti(1)S6 octahedra and corners with six equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. Both Mg(1)-S(1) bond lengths are 2.42 Å. Both Mg(1)-S(2) bond lengths are 2.43 Å. Ti(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent Mo(1)S6 octahedra. Both Ti(1)-S(1) bond lengths are 2.48 Å. All Ti(1)-S(2) bond lengths are 2.49 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 Ti(1)S6 octahedra. Both Mo(1)-S(2) bond lengths are 2.51 Å. All Mo(1)-S(1) bond lengths are 2.51 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Ti(1), and two equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing SMgTiMo2 trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one Mo(1) atom.