LiHoO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Ho(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ho(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. Ho(1) is bonded to six equivalent O(1) atoms to form HoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ho(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. O(1) is bonded to three equivalent Li(1) and three equivalent Ho(1) atoms to form a mixture of corner and edge-sharing OLi3Ho3 octahedra. The corner-sharing octahedra are not tilted.
LiHoO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Ho(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ho(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Li(1)-O(1) bond lengths are 2.36 Å. Ho(1) is bonded to six equivalent O(1) atoms to form HoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ho(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ho(1)-O(1) bond lengths are 2.27 Å. O(1) is bonded to three equivalent Li(1) and three equivalent Ho(1) atoms to form a mixture of corner and edge-sharing OLi3Ho3 octahedra. The corner-sharing octahedra are not tilted.