The structure described by Fe4OF7 is Hydrophilite-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(1), one F(4), one F(6), and two equivalent F(2) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(2)F6 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the second Fe site, Fe(2) is bonded to one F(1), one F(2), one F(5), one F(6), and two equivalent F(3) atoms to form FeF6 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(1)OF5 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Fe site, Fe(3) is bonded to one O(1), one F(5), one F(6), one F(7), and two equivalent F(4) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(1)OF5 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(1), one F(3), one F(5), and two equivalent F(7) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(2)F6 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(4) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the third F site, F(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the fourth F site, F(3) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the fifth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(3) atoms. In the sixth F site, F(5) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the seventh F site, F(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. is represented by the CIF file [CIF]
data_Fe4OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.549
_cell_length_b   7.549
_cell_length_c   5.799
_cell_angle_alpha   73.213
_cell_angle_beta   73.213
_cell_angle_gamma   79.267
_symmetry_Int_Tables_number   1
_cell_volume   300.956
_cell_formula_units_Z   2
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  0.753  0.492  0.518  1.0
  Fe  Fe1  1  0.999  0.749  0.001  1.0
  Fe  Fe2  1  0.749  0.999  0.501  1.0
  Fe  Fe3  1  0.252  0.522  0.490  1.0
  Fe  Fe4  1  0.492  0.753  0.018  1.0
  Fe  Fe5  1  0.995  0.249  0.987  1.0
  Fe  Fe6  1  0.249  0.995  0.487  1.0
  Fe  Fe7  1  0.522  0.252  0.990  1.0
  O  O8  1  0.760  0.317  0.864  1.0
  O  O9  1  0.317  0.760  0.364  1.0
  F  F10  1  0.835  0.272  0.344  1.0
  F  F11  1  0.727  0.669  0.160  1.0
  F  F12  1  0.970  0.930  0.655  1.0
  F  F13  1  0.467  0.411  0.657  1.0
  F  F14  1  0.669  0.727  0.660  1.0
  F  F15  1  0.930  0.970  0.155  1.0
  F  F16  1  0.411  0.467  0.157  1.0
  F  F17  1  0.085  0.528  0.834  1.0
  F  F18  1  0.569  0.027  0.851  1.0
  F  F19  1  0.027  0.569  0.351  1.0
  F  F20  1  0.528  0.085  0.334  1.0
  F  F21  1  0.272  0.835  0.844  1.0
  F  F22  1  0.242  0.181  0.139  1.0
  F  F23  1  0.181  0.242  0.639  1.0
[/CIF]
.
The structure described by Fe4OF7 is Hydrophilite-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(1), one F(4), one F(6), and two equivalent F(2) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(2)F6 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the second Fe site, Fe(2) is bonded to one F(1), one F(2), one F(5), one F(6), and two equivalent F(3) atoms to form FeF6 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(1)OF5 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Fe site, Fe(3) is bonded to one O(1), one F(5), one F(6), one F(7), and two equivalent F(4) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(1)OF5 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(1), one F(3), one F(5), and two equivalent F(7) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(2)F6 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(4) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the third F site, F(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the fourth F site, F(3) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the fifth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(3) atoms. In the sixth F site, F(5) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the seventh F site, F(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. is represented by the CIF file [CIF]
data_Fe4OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.549
_cell_length_b   7.549
_cell_length_c   5.799
_cell_angle_alpha   73.213
_cell_angle_beta   73.213
_cell_angle_gamma   79.267
_symmetry_Int_Tables_number   1
_cell_volume   300.956
_cell_formula_units_Z   2
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  0.753  0.492  0.518  1.0
  Fe  Fe1  1  0.999  0.749  0.001  1.0
  Fe  Fe2  1  0.749  0.999  0.501  1.0
  Fe  Fe3  1  0.252  0.522  0.490  1.0
  Fe  Fe4  1  0.492  0.753  0.018  1.0
  Fe  Fe5  1  0.995  0.249  0.987  1.0
  Fe  Fe6  1  0.249  0.995  0.487  1.0
  Fe  Fe7  1  0.522  0.252  0.990  1.0
  O  O8  1  0.760  0.317  0.864  1.0
  O  O9  1  0.317  0.760  0.364  1.0
  F  F10  1  0.835  0.272  0.344  1.0
  F  F11  1  0.727  0.669  0.160  1.0
  F  F12  1  0.970  0.930  0.655  1.0
  F  F13  1  0.467  0.411  0.657  1.0
  F  F14  1  0.669  0.727  0.660  1.0
  F  F15  1  0.930  0.970  0.155  1.0
  F  F16  1  0.411  0.467  0.157  1.0
  F  F17  1  0.085  0.528  0.834  1.0
  F  F18  1  0.569  0.027  0.851  1.0
  F  F19  1  0.027  0.569  0.351  1.0
  F  F20  1  0.528  0.085  0.334  1.0
  F  F21  1  0.272  0.835  0.844  1.0
  F  F22  1  0.242  0.181  0.139  1.0
  F  F23  1  0.181  0.242  0.639  1.0
[/CIF]
.