The structure described by Fe6O7F5 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 one O(1), one O(2), one O(3), one O(4), one F(2), and one F(3) atom to form distorted FeO4F2 octahedra that share corners with three equivalent Fe(4)O3F3 octahedra, corners with five equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra, and  an edgeedge with one Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one F(1), and two equivalent F(2) atoms to form FeO3F3 octahedra that share corners with three equivalent Fe(3)O4F2 octahedra, corners with five equivalent Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O3F3 octahedra, and  an edgeedge with one Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O3F3 octahedra, corners with six equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the fourth Fe site, Fe(4) is bonded to one O(4), two equivalent O(2), one F(3), and two equivalent F(1) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(3)O4F2 octahedra, corners with six equivalent Fe(1)O4F2 octahedra, and edges with two equivalent Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. There are four 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(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. 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(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Fe(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Fe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.672
_cell_length_c   7.677
_cell_angle_alpha   68.842
_cell_angle_beta   68.842
_cell_angle_gamma   69.791
_symmetry_Int_Tables_number   1
_cell_volume   208.137
_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  0.699  0.681  0.854  1.0
  Fe  Fe1  1  0.343  0.332  0.676  1.0
  Fe  Fe2  1  0.668  0.657  0.324  1.0
  Fe  Fe3  1  0.319  0.301  0.146  1.0
  Fe  Fe4  1  0.003  0.997  0.500  1.0
  Fe  Fe5  1  0.972  0.028  0.000  1.0
  O  O6  1  0.654  0.033  0.663  1.0
  O  O7  1  0.967  0.346  0.337  1.0
  O  O8  1  0.222  0.228  0.955  1.0
  O  O9  1  0.772  0.778  0.045  1.0
  O  O10  1  0.352  0.956  0.340  1.0
  O  O11  1  0.044  0.648  0.660  1.0
  O  O12  1  0.677  0.323  0.000  1.0
  F  F13  1  0.896  0.892  0.297  1.0
  F  F14  1  0.573  0.566  0.622  1.0
  F  F15  1  0.434  0.427  0.378  1.0
  F  F16  1  0.108  0.104  0.703  1.0
  F  F17  1  0.295  0.705  0.000  1.0
[/CIF]
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The structure described by Fe6O7F5 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 one O(1), one O(2), one O(3), one O(4), one F(2), and one F(3) atom to form distorted FeO4F2 octahedra that share corners with three equivalent Fe(4)O3F3 octahedra, corners with five equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra, and  an edgeedge with one Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one F(1), and two equivalent F(2) atoms to form FeO3F3 octahedra that share corners with three equivalent Fe(3)O4F2 octahedra, corners with five equivalent Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O3F3 octahedra, and  an edgeedge with one Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O3F3 octahedra, corners with six equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the fourth Fe site, Fe(4) is bonded to one O(4), two equivalent O(2), one F(3), and two equivalent F(1) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(3)O4F2 octahedra, corners with six equivalent Fe(1)O4F2 octahedra, and edges with two equivalent Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. There are four 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(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. 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(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Fe(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Fe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.672
_cell_length_c   7.677
_cell_angle_alpha   68.842
_cell_angle_beta   68.842
_cell_angle_gamma   69.791
_symmetry_Int_Tables_number   1
_cell_volume   208.137
_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  0.699  0.681  0.854  1.0
  Fe  Fe1  1  0.343  0.332  0.676  1.0
  Fe  Fe2  1  0.668  0.657  0.324  1.0
  Fe  Fe3  1  0.319  0.301  0.146  1.0
  Fe  Fe4  1  0.003  0.997  0.500  1.0
  Fe  Fe5  1  0.972  0.028  0.000  1.0
  O  O6  1  0.654  0.033  0.663  1.0
  O  O7  1  0.967  0.346  0.337  1.0
  O  O8  1  0.222  0.228  0.955  1.0
  O  O9  1  0.772  0.778  0.045  1.0
  O  O10  1  0.352  0.956  0.340  1.0
  O  O11  1  0.044  0.648  0.660  1.0
  O  O12  1  0.677  0.323  0.000  1.0
  F  F13  1  0.896  0.892  0.297  1.0
  F  F14  1  0.573  0.566  0.622  1.0
  F  F15  1  0.434  0.427  0.378  1.0
  F  F16  1  0.108  0.104  0.703  1.0
  F  F17  1  0.295  0.705  0.000  1.0
[/CIF]
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