The material structure described by Fe4O7F is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(9), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Fe(4)O5F octahedra,  a cornercorner with one Fe(8)O5F octahedra, corners with three equivalent Fe(5)O5F octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Fe(4)O5F octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(5)O5F octahedra, corners with three equivalent Fe(8)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(2)O5F octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(7)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(13), one O(3), one O(6), one O(7), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Fe(1)O5F octahedra,  a cornercorner with one Fe(2)O5F octahedra, corners with three equivalent Fe(7)O5F octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O5F octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(4), one O(5), one O(8), one O(9), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Fe(7)O5F octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(8)O5F octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(12), one O(13), one O(14), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O5F octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(4)O5F octahedra, corners with three equivalent Fe(8)O5F octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(11), one O(13), one O(2), one O(8), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Fe(5)O5F octahedra,  a cornercorner with one Fe(8)O5F octahedra, corners with three equivalent Fe(4)O5F octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(14), one O(5), one O(7), one O(9), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Fe(1)O5F octahedra,  a cornercorner with one Fe(7)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are fourteen 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(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(7) atom. 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 trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(6), and one Fe(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(8) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(7) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(7), and one Fe(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.522
_cell_length_b   5.526
_cell_length_c   8.892
_cell_angle_alpha   85.809
_cell_angle_beta   85.838
_cell_angle_gamma   73.009
_symmetry_Int_Tables_number   1
_cell_volume   258.386
_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  0.114  0.125  0.382  1.0
  Fe  Fe1  1  0.373  0.388  0.118  1.0
  Fe  Fe2  1  0.491  0.499  0.497  1.0
  Fe  Fe3  1  0.261  0.261  0.752  1.0
  Fe  Fe4  1  0.769  0.727  0.249  1.0
  Fe  Fe5  1  0.630  0.632  0.876  1.0
  Fe  Fe6  1  0.861  0.866  0.617  1.0
  Fe  Fe7  1  0.001  0.009  0.010  1.0
  O  O8  1  0.067  0.427  0.251  1.0
  O  O9  1  0.182  0.809  0.503  1.0
  O  O10  1  0.277  0.280  0.528  1.0
  O  O11  1  0.526  0.524  0.279  1.0
  O  O12  1  0.785  0.780  0.032  1.0
  O  O13  1  0.475  0.482  0.715  1.0
  O  O14  1  0.223  0.225  0.971  1.0
  O  O15  1  0.713  0.711  0.466  1.0
  O  O16  1  0.971  0.965  0.230  1.0
  O  O17  1  0.560  0.945  0.750  1.0
  O  O18  1  0.797  0.186  0.506  1.0
  O  O19  1  0.312  0.705  0.993  1.0
  O  O20  1  0.941  0.563  0.750  1.0
  O  O21  1  0.695  0.314  0.997  1.0
  F  F22  1  0.448  0.047  0.250  1.0
  F  F23  1  0.027  0.031  0.778  1.0
[/CIF]
.
The material structure described by Fe4O7F is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(9), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Fe(4)O5F octahedra,  a cornercorner with one Fe(8)O5F octahedra, corners with three equivalent Fe(5)O5F octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Fe(4)O5F octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(5)O5F octahedra, corners with three equivalent Fe(8)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(2)O5F octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(7)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(13), one O(3), one O(6), one O(7), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Fe(1)O5F octahedra,  a cornercorner with one Fe(2)O5F octahedra, corners with three equivalent Fe(7)O5F octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O5F octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(4), one O(5), one O(8), one O(9), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Fe(7)O5F octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(8)O5F octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(12), one O(13), one O(14), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O5F octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(4)O5F octahedra, corners with three equivalent Fe(8)O5F octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(11), one O(13), one O(2), one O(8), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Fe(5)O5F octahedra,  a cornercorner with one Fe(8)O5F octahedra, corners with three equivalent Fe(4)O5F octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(14), one O(5), one O(7), one O(9), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Fe(1)O5F octahedra,  a cornercorner with one Fe(7)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are fourteen 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(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(7) atom. 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 trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(6), and one Fe(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(8) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(7) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(7), and one Fe(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.522
_cell_length_b   5.526
_cell_length_c   8.892
_cell_angle_alpha   85.809
_cell_angle_beta   85.838
_cell_angle_gamma   73.009
_symmetry_Int_Tables_number   1
_cell_volume   258.386
_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  0.114  0.125  0.382  1.0
  Fe  Fe1  1  0.373  0.388  0.118  1.0
  Fe  Fe2  1  0.491  0.499  0.497  1.0
  Fe  Fe3  1  0.261  0.261  0.752  1.0
  Fe  Fe4  1  0.769  0.727  0.249  1.0
  Fe  Fe5  1  0.630  0.632  0.876  1.0
  Fe  Fe6  1  0.861  0.866  0.617  1.0
  Fe  Fe7  1  0.001  0.009  0.010  1.0
  O  O8  1  0.067  0.427  0.251  1.0
  O  O9  1  0.182  0.809  0.503  1.0
  O  O10  1  0.277  0.280  0.528  1.0
  O  O11  1  0.526  0.524  0.279  1.0
  O  O12  1  0.785  0.780  0.032  1.0
  O  O13  1  0.475  0.482  0.715  1.0
  O  O14  1  0.223  0.225  0.971  1.0
  O  O15  1  0.713  0.711  0.466  1.0
  O  O16  1  0.971  0.965  0.230  1.0
  O  O17  1  0.560  0.945  0.750  1.0
  O  O18  1  0.797  0.186  0.506  1.0
  O  O19  1  0.312  0.705  0.993  1.0
  O  O20  1  0.941  0.563  0.750  1.0
  O  O21  1  0.695  0.314  0.997  1.0
  F  F22  1  0.448  0.047  0.250  1.0
  F  F23  1  0.027  0.031  0.778  1.0
[/CIF]
.