LiInO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1md space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form InO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, edges with four equivalent In(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°.
LiInO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1md space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two shorter (2.17 Å) and one longer (2.52 Å) Li(1)-O(1) bond length. There are two shorter (2.17 Å) and one longer (2.40 Å) Li(1)-O(2) bond length. In(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form InO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, edges with four equivalent In(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two shorter (2.17 Å) and one longer (2.18 Å) In(1)-O(1) bond length. There are two shorter (2.17 Å) and one longer (2.19 Å) In(1)-O(2) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°.