The material structure described by Fe2O2F3 crystallizes in the monoclinic C2/c space group. Fe(1) is bonded to three equivalent O(1), one F(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the second F site, F(1) is bonded in a water-like geometry to two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.670
_cell_length_b   5.670
_cell_length_c   7.039
_cell_angle_alpha   72.600
_cell_angle_beta   72.600
_cell_angle_gamma   53.718
_symmetry_Int_Tables_number   1
_cell_volume   171.903
_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  0.311  0.300  0.379  1.0
  Fe  Fe1  1  0.700  0.689  0.121  1.0
  Fe  Fe2  1  0.300  0.311  0.879  1.0
  Fe  Fe3  1  0.689  0.700  0.621  1.0
  O  O4  1  0.549  0.879  0.359  1.0
  O  O5  1  0.879  0.549  0.859  1.0
  O  O6  1  0.121  0.451  0.141  1.0
  O  O7  1  0.451  0.121  0.641  1.0
  F  F8  1  0.068  0.685  0.465  1.0
  F  F9  1  0.685  0.068  0.965  1.0
  F  F10  1  0.623  0.377  0.250  1.0
  F  F11  1  0.377  0.623  0.750  1.0
  F  F12  1  0.315  0.932  0.035  1.0
  F  F13  1  0.932  0.315  0.535  1.0
[/CIF]
.
The material structure described by Fe2O2F3 crystallizes in the monoclinic C2/c space group. Fe(1) is bonded to three equivalent O(1), one F(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the second F site, F(1) is bonded in a water-like geometry to two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.670
_cell_length_b   5.670
_cell_length_c   7.039
_cell_angle_alpha   72.600
_cell_angle_beta   72.600
_cell_angle_gamma   53.718
_symmetry_Int_Tables_number   1
_cell_volume   171.903
_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  0.311  0.300  0.379  1.0
  Fe  Fe1  1  0.700  0.689  0.121  1.0
  Fe  Fe2  1  0.300  0.311  0.879  1.0
  Fe  Fe3  1  0.689  0.700  0.621  1.0
  O  O4  1  0.549  0.879  0.359  1.0
  O  O5  1  0.879  0.549  0.859  1.0
  O  O6  1  0.121  0.451  0.141  1.0
  O  O7  1  0.451  0.121  0.641  1.0
  F  F8  1  0.068  0.685  0.465  1.0
  F  F9  1  0.685  0.068  0.965  1.0
  F  F10  1  0.623  0.377  0.250  1.0
  F  F11  1  0.377  0.623  0.750  1.0
  F  F12  1  0.315  0.932  0.035  1.0
  F  F13  1  0.932  0.315  0.535  1.0
[/CIF]
.