Li3InO3 crystallizes in the trigonal P-31c space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra,  an edgeedge with one In(1)O6 octahedra,  an edgeedge with one In(2)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-57°. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent In(2)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. In the second In site, In(2) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent In(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded in a 6-coordinate geometry to four equivalent Li(1), one In(1), and one In(2) atom.
Li3InO3 crystallizes in the trigonal P-31c space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra,  an edgeedge with one In(1)O6 octahedra,  an edgeedge with one In(2)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-57°. There are a spread of Li(1)-O(1) bond distances ranging from 1.92-2.02 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent In(2)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. All In(1)-O(1) bond lengths are 2.19 Å. In the second In site, In(2) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent In(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. All In(2)-O(1) bond lengths are 2.22 Å. O(1) is bonded in a 6-coordinate geometry to four equivalent Li(1), one In(1), and one In(2) atom.