The compound described by FeOF crystallizes in the orthorhombic Cccm space group. Fe(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form a mixture of corner and edge-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles are 17°. O(1) is bonded in a see-saw-like geometry to four equivalent Fe(1) atoms. 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_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.965
_cell_length_b   6.299
_cell_length_c   6.299
_cell_angle_alpha   89.879
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.296
_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  1.000  0.749  0.493  1.0
  Fe  Fe1  1  0.500  0.493  0.750  1.0
  Fe  Fe2  1  1.000  0.751  0.007  1.0
  Fe  Fe3  1  0.500  0.007  0.750  1.0
  O  O4  1  0.500  0.750  0.539  1.0
  O  O5  1  1.000  0.539  0.751  1.0
  O  O6  1  1.000  0.961  0.749  1.0
  O  O7  1  0.500  0.750  0.961  1.0
  F  F8  1  0.500  0.250  0.950  1.0
  F  F9  1  0.000  0.950  0.250  1.0
  F  F10  1  0.000  0.550  0.250  1.0
  F  F11  1  0.500  0.250  0.550  1.0
[/CIF]
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The compound described by FeOF crystallizes in the orthorhombic Cccm space group. Fe(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form a mixture of corner and edge-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles are 17°. O(1) is bonded in a see-saw-like geometry to four equivalent Fe(1) atoms. 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_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.965
_cell_length_b   6.299
_cell_length_c   6.299
_cell_angle_alpha   89.879
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.296
_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  1.000  0.749  0.493  1.0
  Fe  Fe1  1  0.500  0.493  0.750  1.0
  Fe  Fe2  1  1.000  0.751  0.007  1.0
  Fe  Fe3  1  0.500  0.007  0.750  1.0
  O  O4  1  0.500  0.750  0.539  1.0
  O  O5  1  1.000  0.539  0.751  1.0
  O  O6  1  1.000  0.961  0.749  1.0
  O  O7  1  0.500  0.750  0.961  1.0
  F  F8  1  0.500  0.250  0.950  1.0
  F  F9  1  0.000  0.950  0.250  1.0
  F  F10  1  0.000  0.550  0.250  1.0
  F  F11  1  0.500  0.250  0.550  1.0
[/CIF]
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