The structure described by Fe3O5F is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(9), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(3)O5F octahedra, corners with three equivalent Fe(6)O4F2 octahedra, corners with three equivalent Fe(2)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 48-55°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(4)O5F octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(6)O4F2 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(2), one O(4), one O(5), one O(6), one O(8), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(4)O5F octahedra, corners with three equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(6)O4F2 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(2), one O(3), one O(6), one O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(6)O4F2 octahedra, corners with three equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one O(7), one O(8), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with three equivalent Fe(3)O5F octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(3), one O(5), one O(7), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(5)O5F octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(4)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(3), one Fe(4), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) 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(3), one Fe(5), and one Fe(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. is represented by the CIF card [CIF]
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.541
_cell_length_b   5.558
_cell_length_c   7.202
_cell_angle_alpha   71.767
_cell_angle_beta   71.484
_cell_angle_gamma   72.580
_symmetry_Int_Tables_number   1
_cell_volume   194.784
_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  0.320  0.333  0.172  1.0
  Fe  Fe1  1  0.658  0.665  0.333  1.0
  Fe  Fe2  1  0.341  0.351  0.670  1.0
  Fe  Fe3  1  0.669  0.684  0.828  1.0
  Fe  Fe4  1  0.990  0.996  0.490  1.0
  Fe  Fe5  1  0.022  0.975  0.009  1.0
  O  O6  1  0.346  0.975  0.335  1.0
  O  O7  1  0.028  0.648  0.668  1.0
  O  O8  1  0.769  0.762  0.042  1.0
  O  O9  1  0.433  0.441  0.372  1.0
  O  O10  1  0.236  0.228  0.960  1.0
  O  O11  1  0.570  0.582  0.624  1.0
  O  O12  1  0.884  0.885  0.299  1.0
  O  O13  1  0.643  0.043  0.663  1.0
  O  O14  1  0.963  0.351  0.339  1.0
  O  O15  1  0.320  0.682  0.997  1.0
  F  F16  1  0.103  0.102  0.703  1.0
  F  F17  1  0.705  0.295  0.996  1.0
[/CIF]
.
The structure described by Fe3O5F is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(9), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(3)O5F octahedra, corners with three equivalent Fe(6)O4F2 octahedra, corners with three equivalent Fe(2)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 48-55°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(4)O5F octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(6)O4F2 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(2), one O(4), one O(5), one O(6), one O(8), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(4)O5F octahedra, corners with three equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(6)O4F2 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(2), one O(3), one O(6), one O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(6)O4F2 octahedra, corners with three equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one O(7), one O(8), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with three equivalent Fe(3)O5F octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(3), one O(5), one O(7), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(5)O5F octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(4)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(3), one Fe(4), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) 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(3), one Fe(5), and one Fe(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. is represented by the CIF card [CIF]
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.541
_cell_length_b   5.558
_cell_length_c   7.202
_cell_angle_alpha   71.767
_cell_angle_beta   71.484
_cell_angle_gamma   72.580
_symmetry_Int_Tables_number   1
_cell_volume   194.784
_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  0.320  0.333  0.172  1.0
  Fe  Fe1  1  0.658  0.665  0.333  1.0
  Fe  Fe2  1  0.341  0.351  0.670  1.0
  Fe  Fe3  1  0.669  0.684  0.828  1.0
  Fe  Fe4  1  0.990  0.996  0.490  1.0
  Fe  Fe5  1  0.022  0.975  0.009  1.0
  O  O6  1  0.346  0.975  0.335  1.0
  O  O7  1  0.028  0.648  0.668  1.0
  O  O8  1  0.769  0.762  0.042  1.0
  O  O9  1  0.433  0.441  0.372  1.0
  O  O10  1  0.236  0.228  0.960  1.0
  O  O11  1  0.570  0.582  0.624  1.0
  O  O12  1  0.884  0.885  0.299  1.0
  O  O13  1  0.643  0.043  0.663  1.0
  O  O14  1  0.963  0.351  0.339  1.0
  O  O15  1  0.320  0.682  0.997  1.0
  F  F16  1  0.103  0.102  0.703  1.0
  F  F17  1  0.705  0.295  0.996  1.0
[/CIF]
.