NaNdS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to six S(1,1) atoms to form NaS6 octahedra that share corners with two equivalent Nd(1)S6 octahedra, corners with four 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 octahedral tilt angles range from 0-6°. Nd(1) is bonded to six S(1,1) atoms to form NdS6 octahedra that share corners with two equivalent Na(1)S6 octahedra, corners with four 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 octahedral tilt angles range from 0-6°. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Na(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second S site, S(1) is bonded to three equivalent Na(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third S site, S(1) is bonded to three equivalent Na(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°.
NaNdS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to six S(1,1) atoms to form NaS6 octahedra that share corners with two equivalent Nd(1)S6 octahedra, corners with four 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 octahedral tilt angles range from 0-6°. There are four shorter (2.85 Å) and two longer (3.12 Å) Na(1)-S(1,1) bond lengths. Nd(1) is bonded to six S(1,1) atoms to form NdS6 octahedra that share corners with two equivalent Na(1)S6 octahedra, corners with four 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 octahedral tilt angles range from 0-6°. There are two shorter (2.83 Å) and four longer (2.85 Å) Nd(1)-S(1,1) bond lengths. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Na(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second S site, S(1) is bonded to three equivalent Na(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third S site, S(1) is bonded to three equivalent Na(1) and three equivalent Nd(1) atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two shorter (2.85 Å) and one longer (3.12 Å) S(1)-Na(1) bond length. There is one shorter (2.83 Å) and two longer (2.85 Å) S(1)-Nd(1) bond lengths.