InFeO3 crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form FeO5 trigonal bipyramids that share corners with six equivalent In(1)O6 octahedra and corners with six equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. In(1) is bonded to six equivalent O(2) atoms to form InO6 octahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids and edges with six equivalent In(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Fe(1) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OIn3Fe tetrahedra.
InFeO3 crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form FeO5 trigonal bipyramids that share corners with six equivalent In(1)O6 octahedra and corners with six equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Both Fe(1)-O(2) bond lengths are 2.03 Å. All Fe(1)-O(1) bond lengths are 1.96 Å. In(1) is bonded to six equivalent O(2) atoms to form InO6 octahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids and edges with six equivalent In(1)O6 octahedra. All In(1)-O(2) bond lengths are 2.23 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Fe(1) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OIn3Fe tetrahedra.