LiCoS2 is Modderite-derived structured and crystallizes in the monoclinic P2/c space group. Li(1) is bonded to six equivalent S(1) atoms to form distorted LiS6 octahedra that share corners with twelve equivalent Co(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and faces with two equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Co(1) is bonded to six equivalent S(1) atoms to form distorted CoS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with six equivalent Co(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. S(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Co(1) atoms.
LiCoS2 is Modderite-derived structured and crystallizes in the monoclinic P2/c space group. Li(1) is bonded to six equivalent S(1) atoms to form distorted LiS6 octahedra that share corners with twelve equivalent Co(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and faces with two equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are a spread of Li(1)-S(1) bond distances ranging from 2.58-2.62 Å. Co(1) is bonded to six equivalent S(1) atoms to form distorted CoS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with six equivalent Co(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are two shorter (2.27 Å) and four longer (2.28 Å) Co(1)-S(1) bond lengths. S(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Co(1) atoms.