The structure described by Fe4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Fe(5)O4F2 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(4)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(5)O4F2 octahedra, corners with four equivalent Fe(4)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with six equivalent Fe(1)O5F octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(4), one O(5), two equivalent O(1), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(1)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O4F2 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with six equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(2) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.543
_cell_length_b   5.543
_cell_length_c   8.942
_cell_angle_alpha   84.808
_cell_angle_beta   84.808
_cell_angle_gamma   71.087
_symmetry_Int_Tables_number   1
_cell_volume   258.278
_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  0.863  0.863  0.613  1.0
  Fe  Fe1  1  0.630  0.630  0.877  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.734  0.734  0.245  1.0
  Fe  Fe4  1  0.266  0.266  0.755  1.0
  Fe  Fe5  1  0.370  0.370  0.123  1.0
  Fe  Fe6  1  0.137  0.137  0.387  1.0
  Fe  Fe7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.948  0.560  0.750  1.0
  O  O9  1  0.813  0.187  0.500  1.0
  O  O10  1  0.560  0.948  0.750  1.0
  O  O11  1  0.711  0.711  0.467  1.0
  O  O12  1  0.484  0.484  0.715  1.0
  O  O13  1  0.219  0.219  0.970  1.0
  O  O14  1  0.516  0.516  0.285  1.0
  O  O15  1  0.781  0.781  0.030  1.0
  O  O16  1  0.289  0.289  0.533  1.0
  O  O17  1  0.440  0.052  0.250  1.0
  O  O18  1  0.187  0.813  0.500  1.0
  O  O19  1  0.693  0.307  0.000  1.0
  O  O20  1  0.052  0.440  0.250  1.0
  O  O21  1  0.307  0.693  0.000  1.0
  F  F22  1  0.973  0.973  0.227  1.0
  F  F23  1  0.027  0.027  0.773  1.0
[/CIF]
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The structure described by Fe4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Fe(5)O4F2 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(4)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(5)O4F2 octahedra, corners with four equivalent Fe(4)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with six equivalent Fe(1)O5F octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(4), one O(5), two equivalent O(1), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(1)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O4F2 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with six equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(2) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.543
_cell_length_b   5.543
_cell_length_c   8.942
_cell_angle_alpha   84.808
_cell_angle_beta   84.808
_cell_angle_gamma   71.087
_symmetry_Int_Tables_number   1
_cell_volume   258.278
_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  0.863  0.863  0.613  1.0
  Fe  Fe1  1  0.630  0.630  0.877  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.734  0.734  0.245  1.0
  Fe  Fe4  1  0.266  0.266  0.755  1.0
  Fe  Fe5  1  0.370  0.370  0.123  1.0
  Fe  Fe6  1  0.137  0.137  0.387  1.0
  Fe  Fe7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.948  0.560  0.750  1.0
  O  O9  1  0.813  0.187  0.500  1.0
  O  O10  1  0.560  0.948  0.750  1.0
  O  O11  1  0.711  0.711  0.467  1.0
  O  O12  1  0.484  0.484  0.715  1.0
  O  O13  1  0.219  0.219  0.970  1.0
  O  O14  1  0.516  0.516  0.285  1.0
  O  O15  1  0.781  0.781  0.030  1.0
  O  O16  1  0.289  0.289  0.533  1.0
  O  O17  1  0.440  0.052  0.250  1.0
  O  O18  1  0.187  0.813  0.500  1.0
  O  O19  1  0.693  0.307  0.000  1.0
  O  O20  1  0.052  0.440  0.250  1.0
  O  O21  1  0.307  0.693  0.000  1.0
  F  F22  1  0.973  0.973  0.227  1.0
  F  F23  1  0.027  0.027  0.773  1.0
[/CIF]
.