TiS2 crystallizes in the hexagonal P6/mmm space group. Ti(1) is bonded to twelve equivalent S(1) atoms to form a mixture of distorted edge and face-sharing TiS12 cuboctahedra. S(1) is bonded in a 9-coordinate geometry to six equivalent Ti(1) and three equivalent S(1) atoms.
TiS2 crystallizes in the hexagonal P6/mmm space group. Ti(1) is bonded to twelve equivalent S(1) atoms to form a mixture of distorted edge and face-sharing TiS12 cuboctahedra. All Ti(1)-S(1) bond lengths are 2.89 Å. S(1) is bonded in a 9-coordinate geometry to six equivalent Ti(1) and three equivalent S(1) atoms. All S(1)-S(1) bond lengths are 2.49 Å.