The structure described by Fe5(O4F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Fe(5)O4F2 octahedra, corners with four equivalent Fe(4)O5F octahedra, and edges with two equivalent Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Fe site, Fe(2) is bonded to one O(2), one O(5), one O(7), two equivalent O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(5)O4F2 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(5)O4F2 octahedra, corners with two equivalent Fe(6)O4F2 octahedra, corners with four equivalent Fe(4)O5F octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. 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(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(5)O4F2 octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(3), one O(6), one O(8), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(6)O4F2 octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the sixth Fe site, Fe(6) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(3)O5F octahedra, and edges with two equivalent Fe(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), 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(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2), 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(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(2) 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(3), one Fe(5), and one Fe(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.661
_cell_length_b   7.597
_cell_length_c   9.814
_cell_angle_alpha   70.276
_cell_angle_beta   86.768
_cell_angle_gamma   88.285
_symmetry_Int_Tables_number   1
_cell_volume   326.603
_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  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.527  0.705  0.912  1.0
  Fe  Fe2  1  0.525  0.908  0.309  1.0
  Fe  Fe3  1  0.475  0.092  0.691  1.0
  Fe  Fe4  1  0.473  0.295  0.088  1.0
  Fe  Fe5  1  0.011  0.198  0.406  1.0
  Fe  Fe6  1  0.003  0.597  0.204  1.0
  Fe  Fe7  1  0.000  0.000  0.000  1.0
  Fe  Fe8  1  0.997  0.403  0.796  1.0
  Fe  Fe9  1  0.989  0.802  0.594  1.0
  O  O10  1  0.189  0.029  0.579  1.0
  O  O11  1  0.178  0.238  0.968  1.0
  O  O12  1  0.186  0.436  0.374  1.0
  O  O13  1  0.312  0.738  0.479  1.0
  O  O14  1  0.305  0.141  0.273  1.0
  O  O15  1  0.300  0.338  0.675  1.0
  O  O16  1  0.309  0.938  0.882  1.0
  O  O17  1  0.308  0.539  0.079  1.0
  O  O18  1  0.700  0.662  0.325  1.0
  O  O19  1  0.691  0.062  0.118  1.0
  O  O20  1  0.692  0.461  0.921  1.0
  O  O21  1  0.695  0.859  0.727  1.0
  O  O22  1  0.688  0.262  0.521  1.0
  O  O23  1  0.822  0.762  0.032  1.0
  O  O24  1  0.811  0.971  0.421  1.0
  O  O25  1  0.814  0.564  0.626  1.0
  F  F26  1  0.204  0.842  0.184  1.0
  F  F27  1  0.200  0.641  0.782  1.0
  F  F28  1  0.800  0.359  0.218  1.0
  F  F29  1  0.796  0.158  0.816  1.0
[/CIF]
.
The structure described by Fe5(O4F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Fe(5)O4F2 octahedra, corners with four equivalent Fe(4)O5F octahedra, and edges with two equivalent Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Fe site, Fe(2) is bonded to one O(2), one O(5), one O(7), two equivalent O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(5)O4F2 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(5)O4F2 octahedra, corners with two equivalent Fe(6)O4F2 octahedra, corners with four equivalent Fe(4)O5F octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. 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(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(5)O4F2 octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(3), one O(6), one O(8), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(6)O4F2 octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the sixth Fe site, Fe(6) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(3)O5F octahedra, and edges with two equivalent Fe(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), 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(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2), 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(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(2) 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(3), one Fe(5), and one Fe(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.661
_cell_length_b   7.597
_cell_length_c   9.814
_cell_angle_alpha   70.276
_cell_angle_beta   86.768
_cell_angle_gamma   88.285
_symmetry_Int_Tables_number   1
_cell_volume   326.603
_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  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.527  0.705  0.912  1.0
  Fe  Fe2  1  0.525  0.908  0.309  1.0
  Fe  Fe3  1  0.475  0.092  0.691  1.0
  Fe  Fe4  1  0.473  0.295  0.088  1.0
  Fe  Fe5  1  0.011  0.198  0.406  1.0
  Fe  Fe6  1  0.003  0.597  0.204  1.0
  Fe  Fe7  1  0.000  0.000  0.000  1.0
  Fe  Fe8  1  0.997  0.403  0.796  1.0
  Fe  Fe9  1  0.989  0.802  0.594  1.0
  O  O10  1  0.189  0.029  0.579  1.0
  O  O11  1  0.178  0.238  0.968  1.0
  O  O12  1  0.186  0.436  0.374  1.0
  O  O13  1  0.312  0.738  0.479  1.0
  O  O14  1  0.305  0.141  0.273  1.0
  O  O15  1  0.300  0.338  0.675  1.0
  O  O16  1  0.309  0.938  0.882  1.0
  O  O17  1  0.308  0.539  0.079  1.0
  O  O18  1  0.700  0.662  0.325  1.0
  O  O19  1  0.691  0.062  0.118  1.0
  O  O20  1  0.692  0.461  0.921  1.0
  O  O21  1  0.695  0.859  0.727  1.0
  O  O22  1  0.688  0.262  0.521  1.0
  O  O23  1  0.822  0.762  0.032  1.0
  O  O24  1  0.811  0.971  0.421  1.0
  O  O25  1  0.814  0.564  0.626  1.0
  F  F26  1  0.204  0.842  0.184  1.0
  F  F27  1  0.200  0.641  0.782  1.0
  F  F28  1  0.800  0.359  0.218  1.0
  F  F29  1  0.796  0.158  0.816  1.0
[/CIF]
.