InFe2O4 is Aluminum carbonitride-like structured and crystallizes in the trigonal R-3m space group. Fe(1) is bonded to one O(1) and four equivalent O(2) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Fe(1)O5 trigonal bipyramids, and edges with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. In(1) is bonded to six equivalent O(1) 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 to one Fe(1) and three equivalent In(1) atoms to form distorted OIn3Fe tetrahedra that share corners with nine equivalent O(1)In3Fe tetrahedra, corners with four equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(1)In3Fe tetrahedra. In the second O site, O(2) is bonded to four equivalent Fe(1) atoms to form OFe4 trigonal pyramids that share corners with four equivalent O(1)In3Fe tetrahedra, corners with six equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(2)Fe4 trigonal pyramids.
InFe2O4 is Aluminum carbonitride-like structured and crystallizes in the trigonal R-3m space group. Fe(1) is bonded to one O(1) and four equivalent O(2) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Fe(1)O5 trigonal bipyramids, and edges with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. The Fe(1)-O(1) bond length is 2.01 Å. There are three shorter (1.99 Å) and one longer (2.23 Å) Fe(1)-O(2) bond length. In(1) is bonded to six equivalent O(1) 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(1) bond lengths are 2.24 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1) and three equivalent In(1) atoms to form distorted OIn3Fe tetrahedra that share corners with nine equivalent O(1)In3Fe tetrahedra, corners with four equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(1)In3Fe tetrahedra. In the second O site, O(2) is bonded to four equivalent Fe(1) atoms to form OFe4 trigonal pyramids that share corners with four equivalent O(1)In3Fe tetrahedra, corners with six equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(2)Fe4 trigonal pyramids.