NaLaS2 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 La(1)S6 octahedra. The corner-sharing octahedra are not tilted. La(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form LaS6 octahedra that share corners with six equivalent La(1)S6 octahedra, edges with four equivalent La(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 La(1) atoms to form SNa2La4 octahedra that share corners with six equivalent S(1)Na2La4 octahedra, edges with four equivalent S(1)Na2La4 octahedra, and edges with eight equivalent S(2)Na4La2 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 La(1) atoms to form SNa4La2 octahedra that share corners with six equivalent S(2)Na4La2 octahedra, edges with four equivalent S(2)Na4La2 octahedra, and edges with eight equivalent S(1)Na2La4 octahedra. The corner-sharing octahedra are not tilted.
NaLaS2 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 La(1)S6 octahedra. The corner-sharing octahedra are not tilted. Both Na(1)-S(1) bond lengths are 2.83 Å. All Na(1)-S(2) bond lengths are 2.97 Å. La(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form LaS6 octahedra that share corners with six equivalent La(1)S6 octahedra, edges with four equivalent La(1)S6 octahedra, and edges with eight equivalent Na(1)S6 octahedra. The corner-sharing octahedra are not tilted. Both La(1)-S(2) bond lengths are 2.83 Å. All La(1)-S(1) bond lengths are 2.97 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Na(1) and four equivalent La(1) atoms to form SNa2La4 octahedra that share corners with six equivalent S(1)Na2La4 octahedra, edges with four equivalent S(1)Na2La4 octahedra, and edges with eight equivalent S(2)Na4La2 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 La(1) atoms to form SNa4La2 octahedra that share corners with six equivalent S(2)Na4La2 octahedra, edges with four equivalent S(2)Na4La2 octahedra, and edges with eight equivalent S(1)Na2La4 octahedra. The corner-sharing octahedra are not tilted.