The material described by FeOF is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1/a space group. Fe(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. O(1) is bonded in a distorted trigonal planar geometry to three equivalent Fe(1) atoms. F(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.105
_cell_length_b   7.313
_cell_length_c   7.313
_cell_angle_alpha   100.032
_cell_angle_beta   65.335
_cell_angle_gamma   114.671
_symmetry_Int_Tables_number   1
_cell_volume   269.611
_cell_formula_units_Z   8
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  0.504  0.496  0.021  1.0
  Fe  Fe1  1  0.996  0.504  0.979  1.0
  Fe  Fe2  1  0.472  0.996  0.521  1.0
  Fe  Fe3  1  0.028  0.004  0.479  1.0
  Fe  Fe4  1  0.008  0.980  0.996  1.0
  Fe  Fe5  1  0.492  0.020  0.004  1.0
  Fe  Fe6  1  0.024  0.520  0.504  1.0
  Fe  Fe7  1  0.476  0.480  0.496  1.0
  O  O8  1  0.340  0.497  0.307  1.0
  O  O9  1  0.351  0.998  0.807  1.0
  O  O10  1  0.658  0.307  0.002  1.0
  O  O11  1  0.147  0.807  0.503  1.0
  O  O12  1  0.842  0.693  0.998  1.0
  O  O13  1  0.353  0.193  0.497  1.0
  O  O14  1  0.160  0.503  0.693  1.0
  O  O15  1  0.149  0.002  0.193  1.0
  F  F16  1  0.853  0.502  0.305  1.0
  F  F17  1  0.844  0.002  0.805  1.0
  F  F18  1  0.149  0.305  0.998  1.0
  F  F19  1  0.658  0.805  0.498  1.0
  F  F20  1  0.351  0.695  0.002  1.0
  F  F21  1  0.842  0.195  0.502  1.0
  F  F22  1  0.647  0.498  0.695  1.0
  F  F23  1  0.656  0.998  0.195  1.0
[/CIF]
.
The material described by FeOF is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1/a space group. Fe(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. O(1) is bonded in a distorted trigonal planar geometry to three equivalent Fe(1) atoms. F(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.105
_cell_length_b   7.313
_cell_length_c   7.313
_cell_angle_alpha   100.032
_cell_angle_beta   65.335
_cell_angle_gamma   114.671
_symmetry_Int_Tables_number   1
_cell_volume   269.611
_cell_formula_units_Z   8
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  0.504  0.496  0.021  1.0
  Fe  Fe1  1  0.996  0.504  0.979  1.0
  Fe  Fe2  1  0.472  0.996  0.521  1.0
  Fe  Fe3  1  0.028  0.004  0.479  1.0
  Fe  Fe4  1  0.008  0.980  0.996  1.0
  Fe  Fe5  1  0.492  0.020  0.004  1.0
  Fe  Fe6  1  0.024  0.520  0.504  1.0
  Fe  Fe7  1  0.476  0.480  0.496  1.0
  O  O8  1  0.340  0.497  0.307  1.0
  O  O9  1  0.351  0.998  0.807  1.0
  O  O10  1  0.658  0.307  0.002  1.0
  O  O11  1  0.147  0.807  0.503  1.0
  O  O12  1  0.842  0.693  0.998  1.0
  O  O13  1  0.353  0.193  0.497  1.0
  O  O14  1  0.160  0.503  0.693  1.0
  O  O15  1  0.149  0.002  0.193  1.0
  F  F16  1  0.853  0.502  0.305  1.0
  F  F17  1  0.844  0.002  0.805  1.0
  F  F18  1  0.149  0.305  0.998  1.0
  F  F19  1  0.658  0.805  0.498  1.0
  F  F20  1  0.351  0.695  0.002  1.0
  F  F21  1  0.842  0.195  0.502  1.0
  F  F22  1  0.647  0.498  0.695  1.0
  F  F23  1  0.656  0.998  0.195  1.0
[/CIF]
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