Ti(MoS2)2 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TiS6 octahedra that share corners with twelve equivalent Mo(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and faces with two equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Mo(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted MoS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, edges with six equivalent Mo(1)S6 octahedra, and  a faceface with one Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Mo(1) atoms. In the second S site, S(1) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent Mo(1) atoms.
Ti(MoS2)2 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TiS6 octahedra that share corners with twelve equivalent Mo(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and faces with two equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Both Ti(1)-S(1) bond lengths are 2.49 Å. All Ti(1)-S(2) bond lengths are 2.48 Å. Mo(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted MoS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, edges with six equivalent Mo(1)S6 octahedra, and  a faceface with one Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There is one shorter (2.38 Å) and two longer (2.39 Å) Mo(1)-S(1) bond lengths. There is one shorter (2.59 Å) and two longer (2.60 Å) Mo(1)-S(2) bond lengths. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Mo(1) atoms. In the second S site, S(1) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent Mo(1) atoms.