Sn(Li)S2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with six equivalent Sn(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. Sn(1) is bonded to six equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. S(1) is bonded to three equivalent Li(1) and three equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SLi3Sn3 octahedra. The corner-sharing octahedra are not tilted.
Sn(Li)S2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with six equivalent Sn(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Li(1)-S(1) bond lengths are 2.67 Å. Sn(1) is bonded to six equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sn(1)-S(1) bond lengths are 2.74 Å. S(1) is bonded to three equivalent Li(1) and three equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SLi3Sn3 octahedra. The corner-sharing octahedra are not tilted.