LiMoO2 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 Mo(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. Mo(1) is bonded to six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. O(1) is bonded to three equivalent Li(1) and three equivalent Mo(1) atoms to form a mixture of corner and edge-sharing OLi3Mo3 octahedra. The corner-sharing octahedra are not tilted.
LiMoO2 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 Mo(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Li(1)-O(1) bond lengths are 2.05 Å. Mo(1) is bonded to six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Mo(1)-O(1) bond lengths are 2.12 Å. O(1) is bonded to three equivalent Li(1) and three equivalent Mo(1) atoms to form a mixture of corner and edge-sharing OLi3Mo3 octahedra. The corner-sharing octahedra are not tilted.