NaYSe2 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 Y(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Y(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 4°. Y(1) is bonded to six equivalent Se(1) atoms to form YSe6 octahedra that share corners with six equivalent Na(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Y(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 4°. Se(1) is bonded to three equivalent Na(1) and three equivalent Y(1) atoms to form a mixture of edge and corner-sharing SeNa3Y3 octahedra. The corner-sharing octahedra are not tilted.
NaYSe2 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 Y(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Y(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na(1)-Se(1) bond lengths are 3.02 Å. Y(1) is bonded to six equivalent Se(1) atoms to form YSe6 octahedra that share corners with six equivalent Na(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Y(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Y(1)-Se(1) bond lengths are 2.87 Å. Se(1) is bonded to three equivalent Na(1) and three equivalent Y(1) atoms to form a mixture of edge and corner-sharing SeNa3Y3 octahedra. The corner-sharing octahedra are not tilted.