LiErS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Er(1)S6 octahedra. The corner-sharing octahedra are not tilted. Er(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ErS6 octahedra that share corners with six equivalent Er(1)S6 octahedra, edges with four equivalent Er(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1) and four equivalent Er(1) atoms to form SLi2Er4 octahedra that share corners with six equivalent S(1)Li2Er4 octahedra, edges with four equivalent S(1)Li2Er4 octahedra, and edges with eight equivalent S(2)Li4Er2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to four equivalent Li(1) and two equivalent Er(1) atoms to form SLi4Er2 octahedra that share corners with six equivalent S(2)Li4Er2 octahedra, edges with four equivalent S(2)Li4Er2 octahedra, and edges with eight equivalent S(1)Li2Er4 octahedra. The corner-sharing octahedra are not tilted.
LiErS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Er(1)S6 octahedra. The corner-sharing octahedra are not tilted. Both Li(1)-S(1) bond lengths are 2.64 Å. All Li(1)-S(2) bond lengths are 2.75 Å. Er(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ErS6 octahedra that share corners with six equivalent Er(1)S6 octahedra, edges with four equivalent Er(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedra are not tilted. Both Er(1)-S(2) bond lengths are 2.64 Å. All Er(1)-S(1) bond lengths are 2.75 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1) and four equivalent Er(1) atoms to form SLi2Er4 octahedra that share corners with six equivalent S(1)Li2Er4 octahedra, edges with four equivalent S(1)Li2Er4 octahedra, and edges with eight equivalent S(2)Li4Er2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to four equivalent Li(1) and two equivalent Er(1) atoms to form SLi4Er2 octahedra that share corners with six equivalent S(2)Li4Er2 octahedra, edges with four equivalent S(2)Li4Er2 octahedra, and edges with eight equivalent S(1)Li2Er4 octahedra. The corner-sharing octahedra are not tilted.