TlYbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Yb(1) is bonded to six equivalent S(1) atoms to form YbS6 octahedra that share corners with six equivalent Tl(1)S6 octahedra, edges with six equivalent Yb(1)S6 octahedra, and edges with six equivalent Tl(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. Tl(1) is bonded to six equivalent S(1) atoms to form TlS6 octahedra that share corners with six equivalent Yb(1)S6 octahedra, edges with six equivalent Yb(1)S6 octahedra, and edges with six equivalent Tl(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. S(1) is bonded to three equivalent Yb(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing SYb3Tl3 octahedra. The corner-sharing octahedra are not tilted.
TlYbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Yb(1) is bonded to six equivalent S(1) atoms to form YbS6 octahedra that share corners with six equivalent Tl(1)S6 octahedra, edges with six equivalent Yb(1)S6 octahedra, and edges with six equivalent Tl(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Yb(1)-S(1) bond lengths are 2.82 Å. Tl(1) is bonded to six equivalent S(1) atoms to form TlS6 octahedra that share corners with six equivalent Yb(1)S6 octahedra, edges with six equivalent Yb(1)S6 octahedra, and edges with six equivalent Tl(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Tl(1)-S(1) bond lengths are 3.00 Å. S(1) is bonded to three equivalent Yb(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing SYb3Tl3 octahedra. The corner-sharing octahedra are not tilted.