The structure described by FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(2), one F(3), and two equivalent F(4) atoms to form FeO3F3 octahedra that share corners with four equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(4)O4F2 octahedra, and edges with two equivalent Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Fe site, Fe(2) is bonded to one O(5), one O(6), two equivalent F(1), and two equivalent F(5) atoms to form FeO2F4 octahedra that share corners with four equivalent Fe(5)O3F3 octahedra, corners with four equivalent Fe(4)O4F2 octahedra, and edges with two equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the third Fe site, Fe(3) is bonded to one O(4), two equivalent O(1), one F(2), and two equivalent F(6) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3), two equivalent O(6), one F(1), and one F(4) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(1)O3F3 octahedra, and edges with two equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fifth Fe site, Fe(5) is bonded to one O(1), two equivalent O(5), one F(5), and two equivalent F(2) atoms to form FeO3F3 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(3)O3F3 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the sixth Fe site, Fe(6) is bonded to one O(2), two equivalent O(4), one F(6), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(6) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(5) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(5) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(6) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(2) atoms. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Fe(6) and two equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.091
_cell_length_b   4.759
_cell_length_c   14.303
_cell_angle_alpha   87.858
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.241
_cell_formula_units_Z   6
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  0.000  0.937  0.000  1.0
  Fe  Fe1  1  0.000  0.017  0.332  1.0
  Fe  Fe2  1  0.000  0.967  0.665  1.0
  Fe  Fe3  1  0.500  0.481  0.165  1.0
  Fe  Fe4  1  0.500  0.566  0.498  1.0
  Fe  Fe5  1  0.500  0.535  0.834  1.0
  O  O6  1  0.500  0.819  0.601  1.0
  O  O7  1  0.500  0.789  0.936  1.0
  O  O8  1  0.000  0.677  0.106  1.0
  O  O9  1  0.000  0.692  0.769  1.0
  O  O10  1  0.000  0.716  0.430  1.0
  O  O11  1  0.000  0.297  0.236  1.0
  F  F12  1  0.500  0.814  0.270  1.0
  F  F13  1  0.000  0.319  0.564  1.0
  F  F14  1  0.000  0.291  0.899  1.0
  F  F15  1  0.500  0.177  0.063  1.0
  F  F16  1  0.500  0.209  0.402  1.0
  F  F17  1  0.500  0.197  0.730  1.0
[/CIF]
.
The structure described by FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(2), one F(3), and two equivalent F(4) atoms to form FeO3F3 octahedra that share corners with four equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(4)O4F2 octahedra, and edges with two equivalent Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Fe site, Fe(2) is bonded to one O(5), one O(6), two equivalent F(1), and two equivalent F(5) atoms to form FeO2F4 octahedra that share corners with four equivalent Fe(5)O3F3 octahedra, corners with four equivalent Fe(4)O4F2 octahedra, and edges with two equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the third Fe site, Fe(3) is bonded to one O(4), two equivalent O(1), one F(2), and two equivalent F(6) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3), two equivalent O(6), one F(1), and one F(4) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(1)O3F3 octahedra, and edges with two equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fifth Fe site, Fe(5) is bonded to one O(1), two equivalent O(5), one F(5), and two equivalent F(2) atoms to form FeO3F3 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(3)O3F3 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the sixth Fe site, Fe(6) is bonded to one O(2), two equivalent O(4), one F(6), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(6) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(5) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(5) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(6) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(2) atoms. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Fe(6) and two equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.091
_cell_length_b   4.759
_cell_length_c   14.303
_cell_angle_alpha   87.858
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.241
_cell_formula_units_Z   6
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  0.000  0.937  0.000  1.0
  Fe  Fe1  1  0.000  0.017  0.332  1.0
  Fe  Fe2  1  0.000  0.967  0.665  1.0
  Fe  Fe3  1  0.500  0.481  0.165  1.0
  Fe  Fe4  1  0.500  0.566  0.498  1.0
  Fe  Fe5  1  0.500  0.535  0.834  1.0
  O  O6  1  0.500  0.819  0.601  1.0
  O  O7  1  0.500  0.789  0.936  1.0
  O  O8  1  0.000  0.677  0.106  1.0
  O  O9  1  0.000  0.692  0.769  1.0
  O  O10  1  0.000  0.716  0.430  1.0
  O  O11  1  0.000  0.297  0.236  1.0
  F  F12  1  0.500  0.814  0.270  1.0
  F  F13  1  0.000  0.319  0.564  1.0
  F  F14  1  0.000  0.291  0.899  1.0
  F  F15  1  0.500  0.177  0.063  1.0
  F  F16  1  0.500  0.209  0.402  1.0
  F  F17  1  0.500  0.197  0.730  1.0
[/CIF]
.