LiHoSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent Se(1) atoms to form LiSe6 octahedra that share corners with six equivalent Ho(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Ho(1)Se6 octahedra. The corner-sharing octahedra are not tilted. Ho(1) is bonded to six equivalent Se(1) atoms to form HoSe6 octahedra that share corners with six equivalent Li(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Ho(1)Se6 octahedra. The corner-sharing octahedra are not tilted. Se(1) is bonded to three equivalent Li(1) and three equivalent Ho(1) atoms to form a mixture of edge and corner-sharing SeLi3Ho3 octahedra. The corner-sharing octahedra are not tilted.
LiHoSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent Se(1) atoms to form LiSe6 octahedra that share corners with six equivalent Ho(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Ho(1)Se6 octahedra. The corner-sharing octahedra are not tilted. All Li(1)-Se(1) bond lengths are 2.82 Å. Ho(1) is bonded to six equivalent Se(1) atoms to form HoSe6 octahedra that share corners with six equivalent Li(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Ho(1)Se6 octahedra. The corner-sharing octahedra are not tilted. All Ho(1)-Se(1) bond lengths are 2.84 Å. Se(1) is bonded to three equivalent Li(1) and three equivalent Ho(1) atoms to form a mixture of edge and corner-sharing SeLi3Ho3 octahedra. The corner-sharing octahedra are not tilted.