Mg(TiS2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MgS6 octahedra that share corners with six equivalent Ti(1)S4 tetrahedra, edges with two equivalent Mg(1)S6 octahedra, and edges with four equivalent Ti(2)S6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form TiS4 tetrahedra that share corners with six equivalent Mg(1)S6 octahedra and corners with six equivalent Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the second Ti site, Ti(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form TiS6 octahedra that share corners with six equivalent Ti(1)S4 tetrahedra, edges with two equivalent Ti(2)S6 octahedra, and edges with four equivalent Mg(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 Ti(1), and two equivalent Ti(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Ti(1), and one Ti(2) atom.
Mg(TiS2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MgS6 octahedra that share corners with six equivalent Ti(1)S4 tetrahedra, edges with two equivalent Mg(1)S6 octahedra, and edges with four equivalent Ti(2)S6 octahedra. Both Mg(1)-S(1) bond lengths are 2.62 Å. All Mg(1)-S(2) bond lengths are 2.57 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form TiS4 tetrahedra that share corners with six equivalent Mg(1)S6 octahedra and corners with six equivalent Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. Both Ti(1)-S(1) bond lengths are 2.37 Å. Both Ti(1)-S(2) bond lengths are 2.31 Å. In the second Ti site, Ti(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form TiS6 octahedra that share corners with six equivalent Ti(1)S4 tetrahedra, edges with two equivalent Ti(2)S6 octahedra, and edges with four equivalent Mg(1)S6 octahedra. Both Ti(2)-S(2) bond lengths are 2.50 Å. All Ti(2)-S(1) bond lengths are 2.52 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 Ti(1), and two equivalent Ti(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Ti(1), and one Ti(2) atom.