NaNdS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Na(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form NaS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with four equivalent Na(1)S6 octahedra, and edges with eight equivalent Nd(1)S6 octahedra. The corner-sharing octahedra are not tilted. Nd(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form NdS6 octahedra that share corners with six equivalent Nd(1)S6 octahedra, edges with four equivalent Nd(1)S6 octahedra, and edges with eight equivalent Na(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 Na(1) and four equivalent Nd(1) atoms to form SNa2Nd4 octahedra that share corners with six equivalent S(1)Na2Nd4 octahedra, edges with four equivalent S(1)Na2Nd4 octahedra, and edges with eight equivalent S(2)Na4Nd2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to four equivalent Na(1) and two equivalent Nd(1) atoms to form SNa4Nd2 octahedra that share corners with six equivalent S(2)Na4Nd2 octahedra, edges with four equivalent S(2)Na4Nd2 octahedra, and edges with eight equivalent S(1)Na2Nd4 octahedra. The corner-sharing octahedra are not tilted.
NaNdS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Na(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form NaS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with four equivalent Na(1)S6 octahedra, and edges with eight equivalent Nd(1)S6 octahedra. The corner-sharing octahedra are not tilted. Both Na(1)-S(1) bond lengths are 2.80 Å. All Na(1)-S(2) bond lengths are 2.92 Å. Nd(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form NdS6 octahedra that share corners with six equivalent Nd(1)S6 octahedra, edges with four equivalent Nd(1)S6 octahedra, and edges with eight equivalent Na(1)S6 octahedra. The corner-sharing octahedra are not tilted. Both Nd(1)-S(2) bond lengths are 2.80 Å. All Nd(1)-S(1) bond lengths are 2.92 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Na(1) and four equivalent Nd(1) atoms to form SNa2Nd4 octahedra that share corners with six equivalent S(1)Na2Nd4 octahedra, edges with four equivalent S(1)Na2Nd4 octahedra, and edges with eight equivalent S(2)Na4Nd2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to four equivalent Na(1) and two equivalent Nd(1) atoms to form SNa4Nd2 octahedra that share corners with six equivalent S(2)Na4Nd2 octahedra, edges with four equivalent S(2)Na4Nd2 octahedra, and edges with eight equivalent S(1)Na2Nd4 octahedra. The corner-sharing octahedra are not tilted.