LiNdS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six S(1,1,1) atoms to form LiS6 octahedra that share corners with two equivalent Nd(1)S6 octahedra, corners with four equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Nd(1)S6 octahedra. The corner-sharing octahedra are not tilted. Nd(1) is bonded to six S(1,1,1) atoms to form NdS6 octahedra that share corners with two equivalent Li(1)S6 octahedra, corners with four equivalent Nd(1)S6 octahedra, edges with four equivalent Nd(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SLi3Nd3 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(1) is bonded to three equivalent Li(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SLi3Nd3 octahedra. The corner-sharing octahedra are not tilted. In the third S site, S(1) is bonded to three equivalent Li(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SLi3Nd3 octahedra. The corner-sharing octahedra are not tilted.
LiNdS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six S(1,1,1) atoms to form LiS6 octahedra that share corners with two equivalent Nd(1)S6 octahedra, corners with four equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Nd(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are four shorter (2.82 Å) and two longer (2.84 Å) Li(1)-S(1,1,1) bond lengths. Nd(1) is bonded to six S(1,1,1) atoms to form NdS6 octahedra that share corners with two equivalent Li(1)S6 octahedra, corners with four equivalent Nd(1)S6 octahedra, edges with four equivalent Nd(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are four shorter (2.82 Å) and two longer (2.83 Å) Nd(1)-S(1,1,1) bond lengths. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SLi3Nd3 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(1) is bonded to three equivalent Li(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SLi3Nd3 octahedra. The corner-sharing octahedra are not tilted. In the third S site, S(1) is bonded to three equivalent Li(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SLi3Nd3 octahedra. The corner-sharing octahedra are not tilted.