TiCrS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Ti(1) is bonded to six equivalent S(1) atoms to form TiS6 octahedra that share corners with twelve equivalent Cr(1)S6 octahedra, edges with six equivalent Ti(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with twelve equivalent Ti(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and faces with two equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded to three equivalent Ti(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing STi3Cr3 pentagonal pyramids.
TiCrS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Ti(1) is bonded to six equivalent S(1) atoms to form TiS6 octahedra that share corners with twelve equivalent Cr(1)S6 octahedra, edges with six equivalent Ti(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Ti(1)-S(1) bond lengths are 2.49 Å. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with twelve equivalent Ti(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and faces with two equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cr(1)-S(1) bond lengths are 2.46 Å. S(1) is bonded to three equivalent Ti(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing STi3Cr3 pentagonal pyramids.