TiS2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. Ti(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 50°. S(1) is bonded in a distorted T-shaped geometry to three equivalent Ti(1) atoms.
TiS2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. Ti(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.39 Å) and two longer (2.50 Å) Ti(1)-S(1) bond lengths. S(1) is bonded in a distorted T-shaped geometry to three equivalent Ti(1) atoms.