The crystal structure described by Fe6O5F7 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(4) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with six equivalent Fe(2)O2F4 octahedra, and edges with two equivalent Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one F(2), one F(4), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with three equivalent Fe(1)O4F2 octahedra, corners with five equivalent Fe(4)O3F3 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the third Fe site, Fe(3) is bonded to one O(2), one F(1), two equivalent F(2), and two equivalent F(4) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with six equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(3)OF5 octahedra, corners with five equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Fe(4)O3F3 octahedra, and  an edgeedge with one Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(4) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(4) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. is represented by the CIF file [CIF]
data_Fe6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   5.700
_cell_length_c   7.703
_cell_angle_alpha   69.456
_cell_angle_beta   69.456
_cell_angle_gamma   69.277
_symmetry_Int_Tables_number   1
_cell_volume   211.723
_cell_formula_units_Z   1
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  0.669  0.331  0.500  1.0
  Fe  Fe1  1  0.341  0.995  0.331  1.0
  Fe  Fe2  1  0.643  0.357  0.000  1.0
  Fe  Fe3  1  0.352  0.996  0.827  1.0
  Fe  Fe4  1  0.004  0.648  0.173  1.0
  Fe  Fe5  1  0.005  0.659  0.669  1.0
  O  O6  1  0.637  0.697  0.331  1.0
  O  O7  1  0.337  0.663  0.000  1.0
  O  O8  1  0.037  0.292  0.334  1.0
  O  O9  1  0.708  0.963  0.666  1.0
  O  O10  1  0.303  0.363  0.669  1.0
  F  F11  1  0.958  0.042  0.000  1.0
  F  F12  1  0.905  0.574  0.962  1.0
  F  F13  1  0.233  0.896  0.627  1.0
  F  F14  1  0.563  0.224  0.305  1.0
  F  F15  1  0.776  0.437  0.695  1.0
  F  F16  1  0.426  0.095  0.038  1.0
  F  F17  1  0.104  0.767  0.373  1.0
[/CIF]
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The crystal structure described by Fe6O5F7 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(4) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with six equivalent Fe(2)O2F4 octahedra, and edges with two equivalent Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one F(2), one F(4), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with three equivalent Fe(1)O4F2 octahedra, corners with five equivalent Fe(4)O3F3 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the third Fe site, Fe(3) is bonded to one O(2), one F(1), two equivalent F(2), and two equivalent F(4) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with six equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(3)OF5 octahedra, corners with five equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Fe(4)O3F3 octahedra, and  an edgeedge with one Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(4) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(4) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. is represented by the CIF file [CIF]
data_Fe6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   5.700
_cell_length_c   7.703
_cell_angle_alpha   69.456
_cell_angle_beta   69.456
_cell_angle_gamma   69.277
_symmetry_Int_Tables_number   1
_cell_volume   211.723
_cell_formula_units_Z   1
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  0.669  0.331  0.500  1.0
  Fe  Fe1  1  0.341  0.995  0.331  1.0
  Fe  Fe2  1  0.643  0.357  0.000  1.0
  Fe  Fe3  1  0.352  0.996  0.827  1.0
  Fe  Fe4  1  0.004  0.648  0.173  1.0
  Fe  Fe5  1  0.005  0.659  0.669  1.0
  O  O6  1  0.637  0.697  0.331  1.0
  O  O7  1  0.337  0.663  0.000  1.0
  O  O8  1  0.037  0.292  0.334  1.0
  O  O9  1  0.708  0.963  0.666  1.0
  O  O10  1  0.303  0.363  0.669  1.0
  F  F11  1  0.958  0.042  0.000  1.0
  F  F12  1  0.905  0.574  0.962  1.0
  F  F13  1  0.233  0.896  0.627  1.0
  F  F14  1  0.563  0.224  0.305  1.0
  F  F15  1  0.776  0.437  0.695  1.0
  F  F16  1  0.426  0.095  0.038  1.0
  F  F17  1  0.104  0.767  0.373  1.0
[/CIF]
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