The compound described by FeOF is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/m 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 48-54°. O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. F(1) is bonded in a distorted T-shaped 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   3.055
_cell_length_b   6.586
_cell_length_c   6.586
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   132.515
_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  0.500  0.475  0.007  1.0
  Fe  Fe1  1  0.500  0.025  0.493  1.0
  Fe  Fe2  1  0.000  0.007  0.025  1.0
  Fe  Fe3  1  0.000  0.493  0.475  1.0
  O  O4  1  0.500  0.512  0.299  1.0
  O  O5  1  1.000  0.201  0.512  1.0
  O  O6  1  0.000  0.299  0.988  1.0
  O  O7  1  0.500  0.988  0.201  1.0
  F  F8  1  0.500  0.985  0.806  1.0
  F  F9  1  0.000  0.694  0.985  1.0
  F  F10  1  0.000  0.806  0.515  1.0
  F  F11  1  0.500  0.515  0.694  1.0
[/CIF]
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The compound described by FeOF is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/m 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 48-54°. O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. F(1) is bonded in a distorted T-shaped 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   3.055
_cell_length_b   6.586
_cell_length_c   6.586
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   132.515
_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  0.500  0.475  0.007  1.0
  Fe  Fe1  1  0.500  0.025  0.493  1.0
  Fe  Fe2  1  0.000  0.007  0.025  1.0
  Fe  Fe3  1  0.000  0.493  0.475  1.0
  O  O4  1  0.500  0.512  0.299  1.0
  O  O5  1  1.000  0.201  0.512  1.0
  O  O6  1  0.000  0.299  0.988  1.0
  O  O7  1  0.500  0.988  0.201  1.0
  F  F8  1  0.500  0.985  0.806  1.0
  F  F9  1  0.000  0.694  0.985  1.0
  F  F10  1  0.000  0.806  0.515  1.0
  F  F11  1  0.500  0.515  0.694  1.0
[/CIF]
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