The crystal structure described by InFe2O4 crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), and three equivalent O(4) 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(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 64°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Fe(2)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 three equivalent O(1) and three equivalent O(2) atoms to form InO6 octahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids, corners with three equivalent Fe(2)O5 trigonal bipyramids, and edges with six equivalent In(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1) and three equivalent In(1) atoms to form OIn3Fe tetrahedra that share corners with three equivalent O(2)In3Fe tetrahedra, corners with six equivalent O(1)In3Fe tetrahedra,  a cornercorner with one O(3)Fe4 trigonal pyramid, corners with three equivalent O(4)Fe4 trigonal pyramids, and edges with three equivalent O(2)In3Fe tetrahedra. In the second O site, O(2) is bonded to one Fe(2) and three equivalent In(1) atoms to form distorted OIn3Fe tetrahedra that share corners with three equivalent O(1)In3Fe tetrahedra, corners with six equivalent O(2)In3Fe tetrahedra,  a cornercorner with one O(4)Fe4 trigonal pyramid, corners with three equivalent O(3)Fe4 trigonal pyramids, and edges with three equivalent O(1)In3Fe tetrahedra. In the third O site, O(3) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form OFe4 trigonal pyramids that share  a cornercorner with one O(1)In3Fe tetrahedra, corners with three equivalent O(2)In3Fe tetrahedra, corners with six equivalent O(3)Fe4 trigonal pyramids, and edges with three equivalent O(4)Fe4 trigonal pyramids. In the fourth O site, O(4) is bonded to one Fe(2) and three equivalent Fe(1) atoms to form OFe4 trigonal pyramids that share  a cornercorner with one O(2)In3Fe tetrahedra, corners with three equivalent O(1)In3Fe tetrahedra, corners with six equivalent O(4)Fe4 trigonal pyramids, and edges with three equivalent O(3)Fe4 trigonal pyramids. is represented by the CIF file [CIF]
data_In(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.516
_cell_length_b   8.516
_cell_length_c   8.516
_cell_angle_alpha   23.421
_cell_angle_beta   23.421
_cell_angle_gamma   23.421
_symmetry_Int_Tables_number   1
_cell_volume   85.689
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  In  In0  1  0.002  0.002  0.002  1.0
  Fe  Fe1  1  0.787  0.787  0.787  1.0
  Fe  Fe2  1  0.211  0.211  0.211  1.0
  O  O3  1  0.708  0.708  0.708  1.0
  O  O4  1  0.291  0.291  0.291  1.0
  O  O5  1  0.871  0.871  0.871  1.0
  O  O6  1  0.130  0.130  0.130  1.0
[/CIF]
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The crystal structure described by InFe2O4 crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), and three equivalent O(4) 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(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 64°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent In(1)O6 octahedra, corners with six equivalent Fe(2)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 three equivalent O(1) and three equivalent O(2) atoms to form InO6 octahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids, corners with three equivalent Fe(2)O5 trigonal bipyramids, and edges with six equivalent In(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1) and three equivalent In(1) atoms to form OIn3Fe tetrahedra that share corners with three equivalent O(2)In3Fe tetrahedra, corners with six equivalent O(1)In3Fe tetrahedra,  a cornercorner with one O(3)Fe4 trigonal pyramid, corners with three equivalent O(4)Fe4 trigonal pyramids, and edges with three equivalent O(2)In3Fe tetrahedra. In the second O site, O(2) is bonded to one Fe(2) and three equivalent In(1) atoms to form distorted OIn3Fe tetrahedra that share corners with three equivalent O(1)In3Fe tetrahedra, corners with six equivalent O(2)In3Fe tetrahedra,  a cornercorner with one O(4)Fe4 trigonal pyramid, corners with three equivalent O(3)Fe4 trigonal pyramids, and edges with three equivalent O(1)In3Fe tetrahedra. In the third O site, O(3) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form OFe4 trigonal pyramids that share  a cornercorner with one O(1)In3Fe tetrahedra, corners with three equivalent O(2)In3Fe tetrahedra, corners with six equivalent O(3)Fe4 trigonal pyramids, and edges with three equivalent O(4)Fe4 trigonal pyramids. In the fourth O site, O(4) is bonded to one Fe(2) and three equivalent Fe(1) atoms to form OFe4 trigonal pyramids that share  a cornercorner with one O(2)In3Fe tetrahedra, corners with three equivalent O(1)In3Fe tetrahedra, corners with six equivalent O(4)Fe4 trigonal pyramids, and edges with three equivalent O(3)Fe4 trigonal pyramids. is represented by the CIF file [CIF]
data_In(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.516
_cell_length_b   8.516
_cell_length_c   8.516
_cell_angle_alpha   23.421
_cell_angle_beta   23.421
_cell_angle_gamma   23.421
_symmetry_Int_Tables_number   1
_cell_volume   85.689
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  In  In0  1  0.002  0.002  0.002  1.0
  Fe  Fe1  1  0.787  0.787  0.787  1.0
  Fe  Fe2  1  0.211  0.211  0.211  1.0
  O  O3  1  0.708  0.708  0.708  1.0
  O  O4  1  0.291  0.291  0.291  1.0
  O  O5  1  0.871  0.871  0.871  1.0
  O  O6  1  0.130  0.130  0.130  1.0
[/CIF]
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