The structure described by Fe4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second Fe site, Fe(2) is bonded to one O(3), one O(6), one O(7), two equivalent O(4), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Fe site, Fe(3) is bonded to one O(2), one O(5), one O(6), two equivalent O(1), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(5), one O(7), two equivalent O(2), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(4) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. F(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. is represented by the CIF file [CIF]
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.647
_cell_length_b   6.003
_cell_length_c   9.266
_cell_angle_alpha   89.602
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   258.497
_cell_formula_units_Z   2
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
  Fe  Fe0  1  0.003  0.377  0.871  1.0
  Fe  Fe1  1  0.026  0.874  0.882  1.0
  Fe  Fe2  1  0.982  0.382  0.379  1.0
  Fe  Fe3  1  0.988  0.868  0.382  1.0
  Fe  Fe4  1  0.482  0.618  0.621  1.0
  Fe  Fe5  1  0.488  0.132  0.618  1.0
  Fe  Fe6  1  0.503  0.623  0.129  1.0
  Fe  Fe7  1  0.526  0.126  0.118  1.0
  O  O8  1  0.785  0.627  0.477  1.0
  O  O9  1  0.802  0.126  0.469  1.0
  O  O10  1  0.823  0.626  0.970  1.0
  O  O11  1  0.826  0.125  0.967  1.0
  O  O12  1  0.680  0.377  0.720  1.0
  O  O13  1  0.696  0.372  0.222  1.0
  O  O14  1  0.695  0.876  0.221  1.0
  O  O15  1  0.285  0.373  0.523  1.0
  O  O16  1  0.302  0.874  0.531  1.0
  O  O17  1  0.323  0.374  0.030  1.0
  O  O18  1  0.326  0.875  0.033  1.0
  O  O19  1  0.196  0.628  0.778  1.0
  O  O20  1  0.195  0.124  0.779  1.0
  O  O21  1  0.180  0.623  0.280  1.0
  F  F22  1  0.695  0.878  0.724  1.0
  F  F23  1  0.195  0.122  0.276  1.0
[/CIF]
.
The structure described by Fe4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second Fe site, Fe(2) is bonded to one O(3), one O(6), one O(7), two equivalent O(4), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Fe site, Fe(3) is bonded to one O(2), one O(5), one O(6), two equivalent O(1), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(5), one O(7), two equivalent O(2), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(4) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. F(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. is represented by the CIF file [CIF]
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.647
_cell_length_b   6.003
_cell_length_c   9.266
_cell_angle_alpha   89.602
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   258.497
_cell_formula_units_Z   2
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
  Fe  Fe0  1  0.003  0.377  0.871  1.0
  Fe  Fe1  1  0.026  0.874  0.882  1.0
  Fe  Fe2  1  0.982  0.382  0.379  1.0
  Fe  Fe3  1  0.988  0.868  0.382  1.0
  Fe  Fe4  1  0.482  0.618  0.621  1.0
  Fe  Fe5  1  0.488  0.132  0.618  1.0
  Fe  Fe6  1  0.503  0.623  0.129  1.0
  Fe  Fe7  1  0.526  0.126  0.118  1.0
  O  O8  1  0.785  0.627  0.477  1.0
  O  O9  1  0.802  0.126  0.469  1.0
  O  O10  1  0.823  0.626  0.970  1.0
  O  O11  1  0.826  0.125  0.967  1.0
  O  O12  1  0.680  0.377  0.720  1.0
  O  O13  1  0.696  0.372  0.222  1.0
  O  O14  1  0.695  0.876  0.221  1.0
  O  O15  1  0.285  0.373  0.523  1.0
  O  O16  1  0.302  0.874  0.531  1.0
  O  O17  1  0.323  0.374  0.030  1.0
  O  O18  1  0.326  0.875  0.033  1.0
  O  O19  1  0.196  0.628  0.778  1.0
  O  O20  1  0.195  0.124  0.779  1.0
  O  O21  1  0.180  0.623  0.280  1.0
  F  F22  1  0.695  0.878  0.724  1.0
  F  F23  1  0.195  0.122  0.276  1.0
[/CIF]
.