NaCrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent Se(1) atoms to form distorted NaSe6 octahedra that share corners with six equivalent Cr(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 11°. Cr(1) is bonded to six equivalent Se(1) atoms to form CrSe6 octahedra that share corners with six equivalent Na(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 11°. Se(1) is bonded to three equivalent Na(1) and three equivalent Cr(1) atoms to form a mixture of corner and edge-sharing SeNa3Cr3 octahedra. The corner-sharing octahedra are not tilted.
NaCrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent Se(1) atoms to form distorted NaSe6 octahedra that share corners with six equivalent Cr(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Na(1)-Se(1) bond lengths are 2.96 Å. Cr(1) is bonded to six equivalent Se(1) atoms to form CrSe6 octahedra that share corners with six equivalent Na(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Cr(1)-Se(1) bond lengths are 2.57 Å. Se(1) is bonded to three equivalent Na(1) and three equivalent Cr(1) atoms to form a mixture of corner and edge-sharing SeNa3Cr3 octahedra. The corner-sharing octahedra are not tilted.