FeAlO3 crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form FeO5 trigonal bipyramids that share corners with six equivalent Al(1)O6 octahedra and corners with six equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 64°. Al(1) is bonded to six equivalent O(1) atoms to form distorted AlO6 octahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids and edges with six equivalent Al(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. In the second O site, O(1) is bonded to one Fe(1) and three equivalent Al(1) atoms to form a mixture of edge and corner-sharing OAl3Fe tetrahedra.
FeAlO3 crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form FeO5 trigonal bipyramids that share corners with six equivalent Al(1)O6 octahedra and corners with six equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 64°. Both Fe(1)-O(1) bond lengths are 2.08 Å. All Fe(1)-O(2) bond lengths are 1.84 Å. Al(1) is bonded to six equivalent O(1) atoms to form distorted AlO6 octahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids and edges with six equivalent Al(1)O6 octahedra. All Al(1)-O(1) bond lengths are 2.05 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. In the second O site, O(1) is bonded to one Fe(1) and three equivalent Al(1) atoms to form a mixture of edge and corner-sharing OAl3Fe tetrahedra.