LiVS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with twelve equivalent V(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and faces with two equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with six equivalent V(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing SLi3V3 pentagonal pyramids.
LiVS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with twelve equivalent V(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and faces with two equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li(1)-S(1) bond lengths are 2.59 Å. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with six equivalent V(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. All V(1)-S(1) bond lengths are 2.44 Å. S(1) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing SLi3V3 pentagonal pyramids.