CdTlS2 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 Tl(1)S6 octahedra, edges with six equivalent Cd(1)S6 octahedra, and faces with two equivalent Tl(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. Tl(1) is bonded to six equivalent S(1) atoms to form TlS6 octahedra that share corners with twelve equivalent Cd(1)S6 octahedra, edges with six equivalent Tl(1)S6 octahedra, and faces with two equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded in a 6-coordinate geometry to three equivalent Cd(1) and three equivalent Tl(1) atoms.
CdTlS2 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 Tl(1)S6 octahedra, edges with six equivalent Cd(1)S6 octahedra, and faces with two equivalent Tl(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd(1)-S(1) bond lengths are 2.75 Å. Tl(1) is bonded to six equivalent S(1) atoms to form TlS6 octahedra that share corners with twelve equivalent Cd(1)S6 octahedra, edges with six equivalent Tl(1)S6 octahedra, and faces with two equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Tl(1)-S(1) bond lengths are 2.99 Å. S(1) is bonded in a 6-coordinate geometry to three equivalent Cd(1) and three equivalent Tl(1) atoms.