Li5InO4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent In(1)O4 tetrahedra. In(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form InO4 tetrahedra that share corners with four equivalent Li(2)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), four equivalent Li(1), and one In(1) atom to form a mixture of corner and edge-sharing OLi5In octahedra. The corner-sharing octahedral tilt angles range from 64-66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), four equivalent Li(1), and one In(1) atom.
Li5InO4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There is one shorter (2.00 Å) and one longer (2.17 Å) Li(1)-O(1) bond length. There is one shorter (1.93 Å) and one longer (2.37 Å) Li(1)-O(2) bond length. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent In(1)O4 tetrahedra. Both Li(2)-O(1) bond lengths are 2.04 Å. Both Li(2)-O(2) bond lengths are 1.95 Å. In(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form InO4 tetrahedra that share corners with four equivalent Li(2)O4 tetrahedra. Both In(1)-O(1) bond lengths are 2.09 Å. Both In(1)-O(2) bond lengths are 2.06 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), four equivalent Li(1), and one In(1) atom to form a mixture of corner and edge-sharing OLi5In octahedra. The corner-sharing octahedral tilt angles range from 64-66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), four equivalent Li(1), and one In(1) atom.