The material described by Fe6O7F5 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one O(7), one F(2), and one F(4) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(4)O2F4 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 46-51°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(5) atom to form distorted FeO5F octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with four equivalent Fe(6)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 48-53°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(1), and one F(3) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(5)O3F3 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(1)O4F2 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(4) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(4), and one Fe(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.803
_cell_length_b   5.678
_cell_length_c   7.752
_cell_angle_alpha   84.121
_cell_angle_beta   86.218
_cell_angle_gamma   84.810
_symmetry_Int_Tables_number   1
_cell_volume   209.108
_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  0.498  0.833  0.666  1.0
  Fe  Fe1  1  0.537  0.524  0.013  1.0
  Fe  Fe2  1  0.496  0.164  0.331  1.0
  Fe  Fe3  1  0.003  0.335  0.670  1.0
  Fe  Fe4  1  0.987  0.662  0.322  1.0
  Fe  Fe5  1  0.989  0.987  0.001  1.0
  O  O6  1  0.814  0.711  0.104  1.0
  O  O7  1  0.700  0.205  0.103  1.0
  O  O8  1  0.699  0.539  0.765  1.0
  O  O9  1  0.692  0.866  0.437  1.0
  O  O10  1  0.302  0.130  0.567  1.0
  O  O11  1  0.307  0.464  0.235  1.0
  O  O12  1  0.305  0.799  0.895  1.0
  F  F13  1  0.809  0.367  0.438  1.0
  F  F14  1  0.803  0.041  0.767  1.0
  F  F15  1  0.194  0.963  0.232  1.0
  F  F16  1  0.186  0.626  0.559  1.0
  F  F17  1  0.178  0.283  0.896  1.0
[/CIF]
.
The material described by Fe6O7F5 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one O(7), one F(2), and one F(4) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(4)O2F4 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 46-51°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(5) atom to form distorted FeO5F octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with four equivalent Fe(6)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 48-53°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(1), and one F(3) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(5)O3F3 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(1)O4F2 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(4) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(4), and one Fe(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.803
_cell_length_b   5.678
_cell_length_c   7.752
_cell_angle_alpha   84.121
_cell_angle_beta   86.218
_cell_angle_gamma   84.810
_symmetry_Int_Tables_number   1
_cell_volume   209.108
_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  0.498  0.833  0.666  1.0
  Fe  Fe1  1  0.537  0.524  0.013  1.0
  Fe  Fe2  1  0.496  0.164  0.331  1.0
  Fe  Fe3  1  0.003  0.335  0.670  1.0
  Fe  Fe4  1  0.987  0.662  0.322  1.0
  Fe  Fe5  1  0.989  0.987  0.001  1.0
  O  O6  1  0.814  0.711  0.104  1.0
  O  O7  1  0.700  0.205  0.103  1.0
  O  O8  1  0.699  0.539  0.765  1.0
  O  O9  1  0.692  0.866  0.437  1.0
  O  O10  1  0.302  0.130  0.567  1.0
  O  O11  1  0.307  0.464  0.235  1.0
  O  O12  1  0.305  0.799  0.895  1.0
  F  F13  1  0.809  0.367  0.438  1.0
  F  F14  1  0.803  0.041  0.767  1.0
  F  F15  1  0.194  0.963  0.232  1.0
  F  F16  1  0.186  0.626  0.559  1.0
  F  F17  1  0.178  0.283  0.896  1.0
[/CIF]
.