NaSbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent Se(1) atoms to form NaSe6 octahedra that share corners with six equivalent Sb(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Sb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 3°. Sb(1) is bonded to six equivalent Se(1) atoms to form SbSe6 octahedra that share corners with six equivalent Na(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Sb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 3°. Se(1) is bonded to three equivalent Na(1) and three equivalent Sb(1) atoms to form a mixture of edge and corner-sharing SeNa3Sb3 octahedra. The corner-sharing octahedra are not tilted.
NaSbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent Se(1) atoms to form NaSe6 octahedra that share corners with six equivalent Sb(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Sb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na(1)-Se(1) bond lengths are 3.02 Å. Sb(1) is bonded to six equivalent Se(1) atoms to form SbSe6 octahedra that share corners with six equivalent Na(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Sb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sb(1)-Se(1) bond lengths are 2.89 Å. Se(1) is bonded to three equivalent Na(1) and three equivalent Sb(1) atoms to form a mixture of edge and corner-sharing SeNa3Sb3 octahedra. The corner-sharing octahedra are not tilted.