The material described by Fe3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. O(1) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Fe3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.800
_cell_length_b   4.785
_cell_length_c   10.491
_cell_angle_alpha   63.985
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.504
_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  0.986  0.215  0.823  1.0
  Fe  Fe1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.014  0.785  0.177  1.0
  Fe  Fe3  1  0.486  0.785  0.677  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.514  0.215  0.323  1.0
  O  O6  1  0.810  0.474  0.331  1.0
  O  O7  1  0.310  0.526  0.169  1.0
  O  O8  1  0.690  0.474  0.831  1.0
  O  O9  1  0.190  0.526  0.669  1.0
  F  F10  1  0.785  0.114  0.675  1.0
  F  F11  1  0.818  0.818  0.998  1.0
  F  F12  1  0.285  0.886  0.825  1.0
  F  F13  1  0.318  0.182  0.502  1.0
  F  F14  1  0.682  0.818  0.498  1.0
  F  F15  1  0.715  0.114  0.175  1.0
  F  F16  1  0.182  0.182  0.002  1.0
  F  F17  1  0.215  0.886  0.325  1.0
[/CIF]
.
The material described by Fe3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. O(1) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Fe3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.800
_cell_length_b   4.785
_cell_length_c   10.491
_cell_angle_alpha   63.985
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.504
_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  0.986  0.215  0.823  1.0
  Fe  Fe1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.014  0.785  0.177  1.0
  Fe  Fe3  1  0.486  0.785  0.677  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.514  0.215  0.323  1.0
  O  O6  1  0.810  0.474  0.331  1.0
  O  O7  1  0.310  0.526  0.169  1.0
  O  O8  1  0.690  0.474  0.831  1.0
  O  O9  1  0.190  0.526  0.669  1.0
  F  F10  1  0.785  0.114  0.675  1.0
  F  F11  1  0.818  0.818  0.998  1.0
  F  F12  1  0.285  0.886  0.825  1.0
  F  F13  1  0.318  0.182  0.502  1.0
  F  F14  1  0.682  0.818  0.498  1.0
  F  F15  1  0.715  0.114  0.175  1.0
  F  F16  1  0.182  0.182  0.002  1.0
  F  F17  1  0.215  0.886  0.325  1.0
[/CIF]
.