InAlO3 crystallizes in the hexagonal P6_3/mmc space group. In(1) is bonded to six equivalent O(2) atoms to form InO6 octahedra that share corners with six equivalent Al(1)O5 trigonal bipyramids and edges with six equivalent In(1)O6 octahedra. Al(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form AlO5 trigonal bipyramids that share corners with six equivalent In(1)O6 octahedra and corners with six equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Al(1) atoms. In the second O site, O(2) is bonded to three equivalent In(1) and one Al(1) atom to form a mixture of distorted corner and edge-sharing OAlIn3 tetrahedra.
InAlO3 crystallizes in the hexagonal P6_3/mmc space group. In(1) is bonded to six equivalent O(2) atoms to form InO6 octahedra that share corners with six equivalent Al(1)O5 trigonal bipyramids and edges with six equivalent In(1)O6 octahedra. All In(1)-O(2) bond lengths are 2.20 Å. Al(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form AlO5 trigonal bipyramids that share corners with six equivalent In(1)O6 octahedra and corners with six equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. Both Al(1)-O(2) bond lengths are 1.90 Å. All Al(1)-O(1) bond lengths are 1.90 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Al(1) atoms. In the second O site, O(2) is bonded to three equivalent In(1) and one Al(1) atom to form a mixture of distorted corner and edge-sharing OAlIn3 tetrahedra.