CdInS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Cd(1) is bonded to six equivalent S(1) atoms to form CdS6 octahedra that share corners with twelve equivalent In(1)S6 octahedra, edges with six equivalent Cd(1)S6 octahedra, and faces with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. In(1) is bonded to six equivalent S(1) atoms to form InS6 octahedra that share corners with twelve equivalent Cd(1)S6 octahedra, edges with six equivalent In(1)S6 octahedra, and faces with two equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded to three equivalent Cd(1) and three equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing SCd3In3 pentagonal pyramids.
CdInS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Cd(1) is bonded to six equivalent S(1) atoms to form CdS6 octahedra that share corners with twelve equivalent In(1)S6 octahedra, edges with six equivalent Cd(1)S6 octahedra, and faces with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd(1)-S(1) bond lengths are 2.79 Å. In(1) is bonded to six equivalent S(1) atoms to form InS6 octahedra that share corners with twelve equivalent Cd(1)S6 octahedra, edges with six equivalent In(1)S6 octahedra, and faces with two equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. All In(1)-S(1) bond lengths are 2.83 Å. S(1) is bonded to three equivalent Cd(1) and three equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing SCd3In3 pentagonal pyramids.