The crystal structure described by Fe3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(5) atoms to form a mixture of corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), one F(1), one F(4), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one F(2), one F(5), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are two 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(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(4) atom. is represented by the CIF card [CIF]
data_Fe3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.671
_cell_length_b   4.671
_cell_length_c   9.376
_cell_angle_alpha   89.946
_cell_angle_beta   89.946
_cell_angle_gamma   90.232
_symmetry_Int_Tables_number   1
_cell_volume   204.592
_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  0.019  0.044  0.678  1.0
  Fe  Fe1  1  0.956  0.981  0.322  1.0
  Fe  Fe2  1  0.979  0.021  0.000  1.0
  Fe  Fe3  1  0.494  0.506  0.500  1.0
  Fe  Fe4  1  0.514  0.480  0.826  1.0
  Fe  Fe5  1  0.520  0.486  0.174  1.0
  O  O6  1  0.793  0.203  0.172  1.0
  O  O7  1  0.797  0.207  0.828  1.0
  O  O8  1  0.685  0.679  0.330  1.0
  O  O9  1  0.321  0.315  0.670  1.0
  F  F10  1  0.809  0.191  0.500  1.0
  F  F11  1  0.718  0.710  0.672  1.0
  F  F12  1  0.693  0.685  0.997  1.0
  F  F13  1  0.290  0.282  0.328  1.0
  F  F14  1  0.315  0.307  0.003  1.0
  F  F15  1  0.179  0.821  0.500  1.0
  F  F16  1  0.213  0.794  0.831  1.0
  F  F17  1  0.206  0.787  0.169  1.0
[/CIF]
.
The crystal structure described by Fe3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(5) atoms to form a mixture of corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), one F(1), one F(4), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one F(2), one F(5), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are two 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(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(4) atom. is represented by the CIF card [CIF]
data_Fe3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.671
_cell_length_b   4.671
_cell_length_c   9.376
_cell_angle_alpha   89.946
_cell_angle_beta   89.946
_cell_angle_gamma   90.232
_symmetry_Int_Tables_number   1
_cell_volume   204.592
_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  0.019  0.044  0.678  1.0
  Fe  Fe1  1  0.956  0.981  0.322  1.0
  Fe  Fe2  1  0.979  0.021  0.000  1.0
  Fe  Fe3  1  0.494  0.506  0.500  1.0
  Fe  Fe4  1  0.514  0.480  0.826  1.0
  Fe  Fe5  1  0.520  0.486  0.174  1.0
  O  O6  1  0.793  0.203  0.172  1.0
  O  O7  1  0.797  0.207  0.828  1.0
  O  O8  1  0.685  0.679  0.330  1.0
  O  O9  1  0.321  0.315  0.670  1.0
  F  F10  1  0.809  0.191  0.500  1.0
  F  F11  1  0.718  0.710  0.672  1.0
  F  F12  1  0.693  0.685  0.997  1.0
  F  F13  1  0.290  0.282  0.328  1.0
  F  F14  1  0.315  0.307  0.003  1.0
  F  F15  1  0.179  0.821  0.500  1.0
  F  F16  1  0.213  0.794  0.831  1.0
  F  F17  1  0.206  0.787  0.169  1.0
[/CIF]
.