KBiS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent S(1) atoms to form KS6 octahedra that share corners with six equivalent Bi(1)S6 octahedra, edges with six equivalent K(1)S6 octahedra, and edges with six equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles are 8°. Bi(1) is bonded to six equivalent S(1) atoms to form BiS6 octahedra that share corners with six equivalent K(1)S6 octahedra, edges with six equivalent K(1)S6 octahedra, and edges with six equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles are 8°. S(1) is bonded to three equivalent K(1) and three equivalent Bi(1) atoms to form a mixture of edge and corner-sharing SK3Bi3 octahedra. The corner-sharing octahedra are not tilted.
KBiS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent S(1) atoms to form KS6 octahedra that share corners with six equivalent Bi(1)S6 octahedra, edges with six equivalent K(1)S6 octahedra, and edges with six equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles are 8°. All K(1)-S(1) bond lengths are 3.19 Å. Bi(1) is bonded to six equivalent S(1) atoms to form BiS6 octahedra that share corners with six equivalent K(1)S6 octahedra, edges with six equivalent K(1)S6 octahedra, and edges with six equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Bi(1)-S(1) bond lengths are 2.85 Å. S(1) is bonded to three equivalent K(1) and three equivalent Bi(1) atoms to form a mixture of edge and corner-sharing SK3Bi3 octahedra. The corner-sharing octahedra are not tilted.