Materials Data on AlInO3 by Materials Project
InAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent AlO5 trigonal bipyramids and edges with six equivalent InO6 octahedra. All In–O bond lengths are 2.20 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with six equivalent InO6 octahedra and corners with six equivalent AlO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. All Al–O bond lengths are 1.90 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Al3+ atoms. In the second O2- site, O2- is bonded to three equivalent In3+ and one Al3+ atom to form a mixture of distorted edge and corner-sharing OAlIn3 tetrahedra.