The compound described by FeOF is Hydrophilite-derived structured and crystallizes in the tetragonal P4_12_12 space group. Fe(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. F(1) is bonded in a distorted 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   4.789
_cell_length_b   4.789
_cell_length_c   6.020
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   138.072
_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  0.459  0.541  0.250  1.0
  Fe  Fe1  1  0.541  0.459  0.750  1.0
  Fe  Fe2  1  0.041  0.041  0.000  1.0
  Fe  Fe3  1  0.959  0.959  0.500  1.0
  O  O4  1  0.180  0.820  0.250  1.0
  O  O5  1  0.680  0.680  0.500  1.0
  O  O6  1  0.820  0.180  0.750  1.0
  O  O7  1  0.320  0.320  0.000  1.0
  F  F8  1  0.796  0.204  0.250  1.0
  F  F9  1  0.296  0.296  0.500  1.0
  F  F10  1  0.204  0.796  0.750  1.0
  F  F11  1  0.704  0.704  0.000  1.0
[/CIF]
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The compound described by FeOF is Hydrophilite-derived structured and crystallizes in the tetragonal P4_12_12 space group. Fe(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. F(1) is bonded in a distorted 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   4.789
_cell_length_b   4.789
_cell_length_c   6.020
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   138.072
_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  0.459  0.541  0.250  1.0
  Fe  Fe1  1  0.541  0.459  0.750  1.0
  Fe  Fe2  1  0.041  0.041  0.000  1.0
  Fe  Fe3  1  0.959  0.959  0.500  1.0
  O  O4  1  0.180  0.820  0.250  1.0
  O  O5  1  0.680  0.680  0.500  1.0
  O  O6  1  0.820  0.180  0.750  1.0
  O  O7  1  0.320  0.320  0.000  1.0
  F  F8  1  0.796  0.204  0.250  1.0
  F  F9  1  0.296  0.296  0.500  1.0
  F  F10  1  0.204  0.796  0.750  1.0
  F  F11  1  0.704  0.704  0.000  1.0
[/CIF]
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