The crystal structure described by FeOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles are 52°. O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. F(1) is bonded in a trigonal non-coplanar 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   3.008
_cell_length_b   4.908
_cell_length_c   9.561
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   141.159
_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  0.750  0.474  0.343  1.0
  Fe  Fe1  1  0.750  0.026  0.843  1.0
  Fe  Fe2  1  0.250  0.974  0.157  1.0
  Fe  Fe3  1  0.250  0.526  0.657  1.0
  O  O4  1  0.750  0.172  0.228  1.0
  O  O5  1  0.250  0.672  0.272  1.0
  O  O6  1  0.750  0.328  0.728  1.0
  O  O7  1  0.250  0.828  0.772  1.0
  F  F8  1  0.750  0.803  0.031  1.0
  F  F9  1  0.250  0.303  0.469  1.0
  F  F10  1  0.750  0.697  0.531  1.0
  F  F11  1  0.250  0.197  0.969  1.0
[/CIF]
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The crystal structure described by FeOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles are 52°. O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. F(1) is bonded in a trigonal non-coplanar 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   3.008
_cell_length_b   4.908
_cell_length_c   9.561
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   141.159
_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  0.750  0.474  0.343  1.0
  Fe  Fe1  1  0.750  0.026  0.843  1.0
  Fe  Fe2  1  0.250  0.974  0.157  1.0
  Fe  Fe3  1  0.250  0.526  0.657  1.0
  O  O4  1  0.750  0.172  0.228  1.0
  O  O5  1  0.250  0.672  0.272  1.0
  O  O6  1  0.750  0.328  0.728  1.0
  O  O7  1  0.250  0.828  0.772  1.0
  F  F8  1  0.750  0.803  0.031  1.0
  F  F9  1  0.250  0.303  0.469  1.0
  F  F10  1  0.750  0.697  0.531  1.0
  F  F11  1  0.250  0.197  0.969  1.0
[/CIF]
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