The structure described by Fe3(O2F)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(2) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(5)O2F4 octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(2)O5F octahedra, and edges with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the second Fe site, Fe(2) is bonded to one O(2), four equivalent O(1), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(6)O4F2 octahedra, corners with four equivalent Fe(1)O4F2 octahedra, and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(5)O2F4 octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourth Fe site, Fe(4) is bonded to one O(3), four equivalent O(5), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(6)O4F2 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the fifth Fe site, Fe(5) is bonded to one O(4), one O(6), and four equivalent F(1) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(6)O4F2 octahedra, corners with four equivalent Fe(3)O4F2 octahedra, and edges with two equivalent Fe(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the sixth Fe site, Fe(6) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent F(3) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(5)O2F4 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(4)O5F octahedra, and edges with two equivalent Fe(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a 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(5) and two equivalent Fe(6) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(6) atoms. is represented by the CIF file [CIF]
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.592
_cell_length_b   6.642
_cell_length_c   3.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   71.748
_symmetry_Int_Tables_number   1
_cell_volume   202.255
_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  0.015  0.993  0.000  1.0
  Fe  Fe1  1  0.012  0.494  0.500  1.0
  Fe  Fe2  1  0.333  0.333  0.000  1.0
  Fe  Fe3  1  0.656  0.172  0.500  1.0
  Fe  Fe4  1  0.332  0.834  0.500  1.0
  Fe  Fe5  1  0.650  0.675  0.000  1.0
  O  O6  1  0.004  0.305  0.000  1.0
  O  O7  1  0.004  0.691  0.000  1.0
  O  O8  1  0.214  0.393  0.500  1.0
  O  O9  1  0.456  0.272  0.500  1.0
  O  O10  1  0.141  0.929  0.500  1.0
  O  O11  1  0.662  0.361  0.000  1.0
  O  O12  1  0.527  0.736  0.500  1.0
  O  O13  1  0.662  0.977  0.000  1.0
  F  F14  1  0.334  0.026  0.000  1.0
  F  F15  1  0.334  0.639  0.000  1.0
  F  F16  1  0.873  0.064  0.500  1.0
  F  F17  1  0.790  0.605  0.500  1.0
[/CIF]
.
The structure described by Fe3(O2F)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(2) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(5)O2F4 octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(2)O5F octahedra, and edges with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the second Fe site, Fe(2) is bonded to one O(2), four equivalent O(1), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(6)O4F2 octahedra, corners with four equivalent Fe(1)O4F2 octahedra, and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(5)O2F4 octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourth Fe site, Fe(4) is bonded to one O(3), four equivalent O(5), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(6)O4F2 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the fifth Fe site, Fe(5) is bonded to one O(4), one O(6), and four equivalent F(1) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(6)O4F2 octahedra, corners with four equivalent Fe(3)O4F2 octahedra, and edges with two equivalent Fe(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the sixth Fe site, Fe(6) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent F(3) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(5)O2F4 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(4)O5F octahedra, and edges with two equivalent Fe(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a 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(5) and two equivalent Fe(6) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(6) atoms. is represented by the CIF file [CIF]
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.592
_cell_length_b   6.642
_cell_length_c   3.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   71.748
_symmetry_Int_Tables_number   1
_cell_volume   202.255
_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  0.015  0.993  0.000  1.0
  Fe  Fe1  1  0.012  0.494  0.500  1.0
  Fe  Fe2  1  0.333  0.333  0.000  1.0
  Fe  Fe3  1  0.656  0.172  0.500  1.0
  Fe  Fe4  1  0.332  0.834  0.500  1.0
  Fe  Fe5  1  0.650  0.675  0.000  1.0
  O  O6  1  0.004  0.305  0.000  1.0
  O  O7  1  0.004  0.691  0.000  1.0
  O  O8  1  0.214  0.393  0.500  1.0
  O  O9  1  0.456  0.272  0.500  1.0
  O  O10  1  0.141  0.929  0.500  1.0
  O  O11  1  0.662  0.361  0.000  1.0
  O  O12  1  0.527  0.736  0.500  1.0
  O  O13  1  0.662  0.977  0.000  1.0
  F  F14  1  0.334  0.026  0.000  1.0
  F  F15  1  0.334  0.639  0.000  1.0
  F  F16  1  0.873  0.064  0.500  1.0
  F  F17  1  0.790  0.605  0.500  1.0
[/CIF]
.