The compound described by Fe5O7F3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, corners with four equivalent Fe(3)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(1), two equivalent O(4), and one F(2) atom to form a mixture of edge and corner-sharing FeO5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, corners with four equivalent Fe(2)O5F 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 46-58°. 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(3) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. There are two 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(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5O7F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.680
_cell_length_b   4.687
_cell_length_c   15.214
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.731
_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  0.781  0.009  0.806  1.0
  Fe  Fe1  1  0.769  0.011  0.000  1.0
  Fe  Fe2  1  0.781  0.009  0.194  1.0
  Fe  Fe3  1  0.760  0.978  0.399  1.0
  Fe  Fe4  1  0.760  0.978  0.601  1.0
  Fe  Fe5  1  0.240  0.478  0.899  1.0
  Fe  Fe6  1  0.219  0.509  0.306  1.0
  Fe  Fe7  1  0.240  0.478  0.101  1.0
  Fe  Fe8  1  0.231  0.511  0.500  1.0
  Fe  Fe9  1  0.219  0.509  0.694  1.0
  O  O10  1  0.953  0.802  0.904  1.0
  O  O11  1  0.953  0.802  0.096  1.0
  O  O12  1  0.938  0.816  0.297  1.0
  O  O13  1  0.931  0.803  0.500  1.0
  O  O14  1  0.938  0.816  0.703  1.0
  O  O15  1  0.062  0.316  0.797  1.0
  O  O16  1  0.069  0.303  0.000  1.0
  O  O17  1  0.062  0.316  0.203  1.0
  O  O18  1  0.047  0.302  0.404  1.0
  O  O19  1  0.047  0.302  0.596  1.0
  O  O20  1  0.435  0.692  0.402  1.0
  O  O21  1  0.435  0.692  0.598  1.0
  O  O22  1  0.565  0.192  0.902  1.0
  O  O23  1  0.565  0.192  0.098  1.0
  F  F24  1  0.450  0.700  0.799  1.0
  F  F25  1  0.452  0.691  0.000  1.0
  F  F26  1  0.450  0.700  0.201  1.0
  F  F27  1  0.550  0.200  0.299  1.0
  F  F28  1  0.550  0.200  0.701  1.0
  F  F29  1  0.548  0.191  0.500  1.0
[/CIF]
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The compound described by Fe5O7F3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, corners with four equivalent Fe(3)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(1), two equivalent O(4), and one F(2) atom to form a mixture of edge and corner-sharing FeO5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, corners with four equivalent Fe(2)O5F 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 46-58°. 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(3) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. There are two 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(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5O7F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.680
_cell_length_b   4.687
_cell_length_c   15.214
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.731
_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  0.781  0.009  0.806  1.0
  Fe  Fe1  1  0.769  0.011  0.000  1.0
  Fe  Fe2  1  0.781  0.009  0.194  1.0
  Fe  Fe3  1  0.760  0.978  0.399  1.0
  Fe  Fe4  1  0.760  0.978  0.601  1.0
  Fe  Fe5  1  0.240  0.478  0.899  1.0
  Fe  Fe6  1  0.219  0.509  0.306  1.0
  Fe  Fe7  1  0.240  0.478  0.101  1.0
  Fe  Fe8  1  0.231  0.511  0.500  1.0
  Fe  Fe9  1  0.219  0.509  0.694  1.0
  O  O10  1  0.953  0.802  0.904  1.0
  O  O11  1  0.953  0.802  0.096  1.0
  O  O12  1  0.938  0.816  0.297  1.0
  O  O13  1  0.931  0.803  0.500  1.0
  O  O14  1  0.938  0.816  0.703  1.0
  O  O15  1  0.062  0.316  0.797  1.0
  O  O16  1  0.069  0.303  0.000  1.0
  O  O17  1  0.062  0.316  0.203  1.0
  O  O18  1  0.047  0.302  0.404  1.0
  O  O19  1  0.047  0.302  0.596  1.0
  O  O20  1  0.435  0.692  0.402  1.0
  O  O21  1  0.435  0.692  0.598  1.0
  O  O22  1  0.565  0.192  0.902  1.0
  O  O23  1  0.565  0.192  0.098  1.0
  F  F24  1  0.450  0.700  0.799  1.0
  F  F25  1  0.452  0.691  0.000  1.0
  F  F26  1  0.450  0.700  0.201  1.0
  F  F27  1  0.550  0.200  0.299  1.0
  F  F28  1  0.550  0.200  0.701  1.0
  F  F29  1  0.548  0.191  0.500  1.0
[/CIF]
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