MgTiInS4 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 In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. Ti(1) is bonded to two equivalent S(2) and four equivalent S(1) 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 In(1)S6 octahedra. In(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form InS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent In(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 in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one In(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent In(1) atoms.
MgTiInS4 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 In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. Both Mg(1)-S(1) bond lengths are 2.49 Å. Both Mg(1)-S(2) bond lengths are 2.46 Å. Ti(1) is bonded to two equivalent S(2) and four equivalent S(1) 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 In(1)S6 octahedra. Both Ti(1)-S(2) bond lengths are 2.49 Å. All Ti(1)-S(1) bond lengths are 2.52 Å. In(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form InS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent Ti(1)S6 octahedra. Both In(1)-S(1) bond lengths are 2.69 Å. All In(1)-S(2) bond lengths are 2.63 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 Ti(1), and one In(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent In(1) atoms.