The compound described by Fe4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), two equivalent O(2), two equivalent O(4), and one F(2) atom to form FeO5F octahedra that share corners with four equivalent Fe(3)O5F octahedra, corners with four equivalent Fe(4)O5F octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second Fe site, Fe(2) is bonded to one O(6), two equivalent O(3), two equivalent O(9), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(3)O5F octahedra, corners with four equivalent Fe(4)O5F octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(4), one O(7), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the sixth Fe site, Fe(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(6) and two equivalent Fe(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(4) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.514
_cell_length_c   10.192
_cell_angle_alpha   69.281
_cell_angle_beta   69.281
_cell_angle_gamma   66.014
_symmetry_Int_Tables_number   1
_cell_volume   256.722
_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  0.364  0.364  0.257  1.0
  Fe  Fe1  1  0.108  0.108  0.761  1.0
  Fe  Fe2  1  0.760  0.252  0.496  1.0
  Fe  Fe3  1  0.252  0.760  0.496  1.0
  Fe  Fe4  1  0.497  0.015  0.996  1.0
  Fe  Fe5  1  0.631  0.631  0.747  1.0
  Fe  Fe6  1  0.877  0.877  0.249  1.0
  Fe  Fe7  1  0.015  0.497  0.996  1.0
  O  O8  1  0.147  0.147  0.402  1.0
  O  O9  1  0.079  0.577  0.153  1.0
  O  O10  1  0.425  0.922  0.846  1.0
  O  O11  1  0.671  0.175  0.347  1.0
  O  O12  1  0.175  0.671  0.347  1.0
  O  O13  1  0.111  0.111  0.092  1.0
  O  O14  1  0.886  0.886  0.911  1.0
  O  O15  1  0.639  0.639  0.405  1.0
  O  O16  1  0.403  0.403  0.898  1.0
  O  O17  1  0.330  0.823  0.654  1.0
  O  O18  1  0.823  0.330  0.654  1.0
  O  O19  1  0.577  0.079  0.153  1.0
  O  O20  1  0.922  0.425  0.846  1.0
  O  O21  1  0.861  0.861  0.594  1.0
  F  F22  1  0.348  0.348  0.599  1.0
  F  F23  1  0.600  0.600  0.102  1.0
[/CIF]
.
The compound described by Fe4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), two equivalent O(2), two equivalent O(4), and one F(2) atom to form FeO5F octahedra that share corners with four equivalent Fe(3)O5F octahedra, corners with four equivalent Fe(4)O5F octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second Fe site, Fe(2) is bonded to one O(6), two equivalent O(3), two equivalent O(9), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(3)O5F octahedra, corners with four equivalent Fe(4)O5F octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(4), one O(7), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the sixth Fe site, Fe(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(6) and two equivalent Fe(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(4) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.514
_cell_length_c   10.192
_cell_angle_alpha   69.281
_cell_angle_beta   69.281
_cell_angle_gamma   66.014
_symmetry_Int_Tables_number   1
_cell_volume   256.722
_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  0.364  0.364  0.257  1.0
  Fe  Fe1  1  0.108  0.108  0.761  1.0
  Fe  Fe2  1  0.760  0.252  0.496  1.0
  Fe  Fe3  1  0.252  0.760  0.496  1.0
  Fe  Fe4  1  0.497  0.015  0.996  1.0
  Fe  Fe5  1  0.631  0.631  0.747  1.0
  Fe  Fe6  1  0.877  0.877  0.249  1.0
  Fe  Fe7  1  0.015  0.497  0.996  1.0
  O  O8  1  0.147  0.147  0.402  1.0
  O  O9  1  0.079  0.577  0.153  1.0
  O  O10  1  0.425  0.922  0.846  1.0
  O  O11  1  0.671  0.175  0.347  1.0
  O  O12  1  0.175  0.671  0.347  1.0
  O  O13  1  0.111  0.111  0.092  1.0
  O  O14  1  0.886  0.886  0.911  1.0
  O  O15  1  0.639  0.639  0.405  1.0
  O  O16  1  0.403  0.403  0.898  1.0
  O  O17  1  0.330  0.823  0.654  1.0
  O  O18  1  0.823  0.330  0.654  1.0
  O  O19  1  0.577  0.079  0.153  1.0
  O  O20  1  0.922  0.425  0.846  1.0
  O  O21  1  0.861  0.861  0.594  1.0
  F  F22  1  0.348  0.348  0.599  1.0
  F  F23  1  0.600  0.600  0.102  1.0
[/CIF]
.