LiSbS2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with two equivalent Sb(1)S6 octahedra, corners with four equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Sb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. Sb(1) is bonded to six equivalent S(1) atoms to form distorted SbS6 octahedra that share corners with two equivalent Li(1)S6 octahedra, corners with four equivalent Sb(1)S6 octahedra, edges with four equivalent Sb(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. S(1) is bonded to three equivalent Li(1) and three equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing SLi3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 2-10°.
LiSbS2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with two equivalent Sb(1)S6 octahedra, corners with four equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Sb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are a spread of Li(1)-S(1) bond distances ranging from 2.70-2.88 Å. Sb(1) is bonded to six equivalent S(1) atoms to form distorted SbS6 octahedra that share corners with two equivalent Li(1)S6 octahedra, corners with four equivalent Sb(1)S6 octahedra, edges with four equivalent Sb(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are a spread of Sb(1)-S(1) bond distances ranging from 2.48-3.11 Å. S(1) is bonded to three equivalent Li(1) and three equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing SLi3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 2-10°.