NaLuS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent S(1) atoms to form NaS6 octahedra that share corners with six equivalent Lu(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Lu(1)S6 octahedra. The corner-sharing octahedral tilt angles are 6°. Lu(1) is bonded to six equivalent S(1) atoms to form LuS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Lu(1)S6 octahedra. The corner-sharing octahedral tilt angles are 6°. S(1) is bonded to three equivalent Na(1) and three equivalent Lu(1) atoms to form a mixture of edge and corner-sharing SNa3Lu3 octahedra. The corner-sharing octahedra are not tilted.
NaLuS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent S(1) atoms to form NaS6 octahedra that share corners with six equivalent Lu(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Lu(1)S6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Na(1)-S(1) bond lengths are 2.89 Å. Lu(1) is bonded to six equivalent S(1) atoms to form LuS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Lu(1)S6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Lu(1)-S(1) bond lengths are 2.68 Å. S(1) is bonded to three equivalent Na(1) and three equivalent Lu(1) atoms to form a mixture of edge and corner-sharing SNa3Lu3 octahedra. The corner-sharing octahedra are not tilted.