LiNdS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with six equivalent Nd(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Nd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. Nd(1) is bonded to six equivalent S(1) atoms to form NdS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Nd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. S(1) is bonded to three equivalent Li(1) and three equivalent Nd(1) atoms to form a mixture of corner and edge-sharing SLi3Nd3 octahedra. The corner-sharing octahedra are not tilted.
LiNdS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with six equivalent Nd(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Nd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Li(1)-S(1) bond lengths are 2.78 Å. Nd(1) is bonded to six equivalent S(1) atoms to form NdS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Nd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Nd(1)-S(1) bond lengths are 2.83 Å. S(1) is bonded to three equivalent Li(1) and three equivalent Nd(1) atoms to form a mixture of corner and edge-sharing SLi3Nd3 octahedra. The corner-sharing octahedra are not tilted.