NaTbS2 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 Tb(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Tb(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. Tb(1) is bonded to six equivalent S(1) atoms to form TbS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Tb(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. S(1) is bonded to three equivalent Na(1) and three equivalent Tb(1) atoms to form a mixture of corner and edge-sharing SNa3Tb3 octahedra. The corner-sharing octahedra are not tilted.
NaTbS2 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 Tb(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Tb(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na(1)-S(1) bond lengths are 2.91 Å. Tb(1) is bonded to six equivalent S(1) atoms to form TbS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Tb(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Tb(1)-S(1) bond lengths are 2.76 Å. S(1) is bonded to three equivalent Na(1) and three equivalent Tb(1) atoms to form a mixture of corner and edge-sharing SNa3Tb3 octahedra. The corner-sharing octahedra are not tilted.