NaGdS2 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 Gd(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Gd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. Gd(1) is bonded to six equivalent S(1) atoms to form GdS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Gd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. S(1) is bonded to three equivalent Na(1) and three equivalent Gd(1) atoms to form a mixture of corner and edge-sharing SNa3Gd3 octahedra. The corner-sharing octahedra are not tilted.
NaGdS2 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 Gd(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Gd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na(1)-S(1) bond lengths are 2.92 Å. Gd(1) is bonded to six equivalent S(1) atoms to form GdS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Gd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Gd(1)-S(1) bond lengths are 2.78 Å. S(1) is bonded to three equivalent Na(1) and three equivalent Gd(1) atoms to form a mixture of corner and edge-sharing SNa3Gd3 octahedra. The corner-sharing octahedra are not tilted.