The material described by Fe3(O2F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1) 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), one Fe(2), and one Fe(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.662
_cell_length_b   5.556
_cell_length_c   7.731
_cell_angle_alpha   85.165
_cell_angle_beta   89.566
_cell_angle_gamma   89.569
_symmetry_Int_Tables_number   1
_cell_volume   199.563
_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  0.542  0.840  0.657  1.0
  Fe  Fe1  1  0.500  0.500  0.000  1.0
  Fe  Fe2  1  0.458  0.160  0.343  1.0
  Fe  Fe3  1  0.005  0.327  0.687  1.0
  Fe  Fe4  1  0.995  0.673  0.313  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.804  0.035  0.785  1.0
  O  O7  1  0.800  0.716  0.090  1.0
  O  O8  1  0.694  0.536  0.765  1.0
  O  O9  1  0.696  0.874  0.427  1.0
  O  O10  1  0.304  0.126  0.573  1.0
  O  O11  1  0.306  0.464  0.235  1.0
  O  O12  1  0.196  0.965  0.215  1.0
  O  O13  1  0.200  0.284  0.910  1.0
  F  F14  1  0.808  0.370  0.436  1.0
  F  F15  1  0.705  0.211  0.113  1.0
  F  F16  1  0.295  0.789  0.887  1.0
  F  F17  1  0.192  0.630  0.564  1.0
[/CIF]
.
The material described by Fe3(O2F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1) 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), one Fe(2), and one Fe(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.662
_cell_length_b   5.556
_cell_length_c   7.731
_cell_angle_alpha   85.165
_cell_angle_beta   89.566
_cell_angle_gamma   89.569
_symmetry_Int_Tables_number   1
_cell_volume   199.563
_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  0.542  0.840  0.657  1.0
  Fe  Fe1  1  0.500  0.500  0.000  1.0
  Fe  Fe2  1  0.458  0.160  0.343  1.0
  Fe  Fe3  1  0.005  0.327  0.687  1.0
  Fe  Fe4  1  0.995  0.673  0.313  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.804  0.035  0.785  1.0
  O  O7  1  0.800  0.716  0.090  1.0
  O  O8  1  0.694  0.536  0.765  1.0
  O  O9  1  0.696  0.874  0.427  1.0
  O  O10  1  0.304  0.126  0.573  1.0
  O  O11  1  0.306  0.464  0.235  1.0
  O  O12  1  0.196  0.965  0.215  1.0
  O  O13  1  0.200  0.284  0.910  1.0
  F  F14  1  0.808  0.370  0.436  1.0
  F  F15  1  0.705  0.211  0.113  1.0
  F  F16  1  0.295  0.789  0.887  1.0
  F  F17  1  0.192  0.630  0.564  1.0
[/CIF]
.