The material structure described by FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c 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 43-55°. 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   4.665
_cell_length_b   5.571
_cell_length_c   5.546
_cell_angle_alpha   65.623
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.291
_cell_formula_units_Z   4
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  0.474  0.997  0.531  1.0
  Fe  Fe1  1  0.526  0.503  0.969  1.0
  Fe  Fe2  1  0.974  0.003  0.969  1.0
  Fe  Fe3  1  0.026  0.497  0.530  1.0
  O  O4  1  0.197  0.156  0.651  1.0
  O  O5  1  0.303  0.656  0.651  1.0
  O  O6  1  0.697  0.844  0.849  1.0
  O  O7  1  0.803  0.344  0.849  1.0
  F  F8  1  0.195  0.646  0.154  1.0
  F  F9  1  0.305  0.146  0.154  1.0
  F  F10  1  0.695  0.354  0.346  1.0
  F  F11  1  0.805  0.854  0.346  1.0
[/CIF]
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The material structure described by FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c 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 43-55°. 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   4.665
_cell_length_b   5.571
_cell_length_c   5.546
_cell_angle_alpha   65.623
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.291
_cell_formula_units_Z   4
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  0.474  0.997  0.531  1.0
  Fe  Fe1  1  0.526  0.503  0.969  1.0
  Fe  Fe2  1  0.974  0.003  0.969  1.0
  Fe  Fe3  1  0.026  0.497  0.530  1.0
  O  O4  1  0.197  0.156  0.651  1.0
  O  O5  1  0.303  0.656  0.651  1.0
  O  O6  1  0.697  0.844  0.849  1.0
  O  O7  1  0.803  0.344  0.849  1.0
  F  F8  1  0.195  0.646  0.154  1.0
  F  F9  1  0.305  0.146  0.154  1.0
  F  F10  1  0.695  0.354  0.346  1.0
  F  F11  1  0.805  0.854  0.346  1.0
[/CIF]
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