NaCeS2 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 Ce(1)S6 octahedra. The corner-sharing octahedra are not tilted. Ce(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CeS6 octahedra that share corners with six equivalent Ce(1)S6 octahedra, edges with four equivalent Ce(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 Ce(1) atoms to form SNa2Ce4 octahedra that share corners with six equivalent S(1)Na2Ce4 octahedra, edges with four equivalent S(1)Na2Ce4 octahedra, and edges with eight equivalent S(2)Na4Ce2 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 Ce(1) atoms to form SNa4Ce2 octahedra that share corners with six equivalent S(2)Na4Ce2 octahedra, edges with four equivalent S(2)Na4Ce2 octahedra, and edges with eight equivalent S(1)Na2Ce4 octahedra. The corner-sharing octahedra are not tilted.
NaCeS2 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 Ce(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 2.89 Å. Ce(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CeS6 octahedra that share corners with six equivalent Ce(1)S6 octahedra, edges with four equivalent Ce(1)S6 octahedra, and edges with eight equivalent Na(1)S6 octahedra. The corner-sharing octahedra are not tilted. Both Ce(1)-S(2) bond lengths are 2.80 Å. All Ce(1)-S(1) bond lengths are 2.89 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Na(1) and four equivalent Ce(1) atoms to form SNa2Ce4 octahedra that share corners with six equivalent S(1)Na2Ce4 octahedra, edges with four equivalent S(1)Na2Ce4 octahedra, and edges with eight equivalent S(2)Na4Ce2 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 Ce(1) atoms to form SNa4Ce2 octahedra that share corners with six equivalent S(2)Na4Ce2 octahedra, edges with four equivalent S(2)Na4Ce2 octahedra, and edges with eight equivalent S(1)Na2Ce4 octahedra. The corner-sharing octahedra are not tilted.