The crystal structure described by Fe7O3F13 crystallizes in the triclinic P1 space group. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one F(1), one F(10), one F(2), one F(5), and one F(6) atom to form FeOF5 octahedra that share  a cornercorner with one Fe(7)O2F2 tetrahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and edges with two equivalent Fe(5)OF5 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one F(1), one F(13), one F(2), and one F(8) atom to form distorted FeO2F4 octahedra that share corners with three equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Fe(3)O2F4 octahedra,  an edgeedge with one Fe(1)OF5 octahedra,  an edgeedge with one Fe(4)OF5 octahedra, and  an edgeedge with one Fe(5)OF5 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), one F(3), one F(4), one F(7), and one F(9) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(11), one F(13), one F(3), one F(4), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and edges with two equivalent Fe(3)O2F4 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(10), one F(12), one F(2), one F(6), and one F(8) atom to form FeOF5 octahedra that share  a cornercorner with one Fe(7)O2F2 tetrahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and edges with two equivalent Fe(1)OF5 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(2), one F(11), one F(12), one F(3), one F(5), and one F(7) atom to form FeOF5 octahedra that share  an edgeedge with one Fe(3)O2F4 octahedra,  an edgeedge with one Fe(1)OF5 octahedra,  an edgeedge with one Fe(4)OF5 octahedra, and  an edgeedge with one Fe(5)OF5 octahedra. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(3), one F(13), and one F(6) atom to form FeO2F2 tetrahedra that share  a cornercorner with one Fe(1)OF5 octahedra,  a cornercorner with one Fe(5)OF5 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)OF5 octahedra, and corners with three equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Fe(2), one Fe(3), one Fe(4), and one Fe(7) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Fe(1), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(7) atom. There are thirteen inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Fe(1) and one Fe(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(4), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Fe(3) and one Fe(4) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Fe(1) and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Fe(3) and one Fe(6) atom. In the eighth F site, F(8) is bonded in a water-like geometry to one Fe(2) and one Fe(5) atom. In the ninth F site, F(9) is bonded in a water-like geometry to one Fe(3) and one Fe(4) atom. In the tenth F site, F(10) is bonded in a water-like geometry to one Fe(1) and one Fe(5) atom. In the eleventh F site, F(11) is bonded in a water-like geometry to one Fe(4) and one Fe(6) atom. In the twelfth F site, F(12) is bonded in a water-like geometry to one Fe(5) and one Fe(6) atom. In the thirteenth F site, F(13) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Fe(7) atom. is represented by the CIF card [CIF]
data_Fe7O3F13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.168
_cell_length_b   6.316
_cell_length_c   10.638
_cell_angle_alpha   107.643
_cell_angle_beta   106.934
_cell_angle_gamma   59.533
_symmetry_Int_Tables_number   1
_cell_volume   335.580
_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  0.764  0.766  0.263  1.0
  Fe  Fe1  1  0.014  0.511  0.995  1.0
  Fe  Fe2  1  0.769  0.739  0.751  1.0
  Fe  Fe3  1  0.728  0.266  0.748  1.0
  Fe  Fe4  1  0.262  0.263  0.259  1.0
  Fe  Fe5  1  0.475  0.002  0.495  1.0
  Fe  Fe6  1  0.320  0.790  0.928  1.0
  O  O7  1  0.643  0.592  0.871  1.0
  O  O8  1  0.588  0.092  0.365  1.0
  O  O9  1  0.114  0.649  0.885  1.0
  F  F10  1  0.857  0.839  0.131  1.0
  F  F11  1  0.900  0.408  0.148  1.0
  F  F12  1  0.828  0.920  0.623  1.0
  F  F13  1  0.865  0.376  0.655  1.0
  F  F14  1  0.626  0.673  0.373  1.0
  F  F15  1  0.390  0.891  0.127  1.0
  F  F16  1  0.422  0.871  0.616  1.0
  F  F17  1  0.342  0.345  0.125  1.0
  F  F18  1  0.653  0.109  0.849  1.0
  F  F19  1  0.111  0.605  0.362  1.0
  F  F20  1  0.410  0.329  0.619  1.0
  F  F21  1  0.150  0.140  0.371  1.0
  F  F22  1  0.098  0.125  0.876  1.0
[/CIF]
.
The crystal structure described by Fe7O3F13 crystallizes in the triclinic P1 space group. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one F(1), one F(10), one F(2), one F(5), and one F(6) atom to form FeOF5 octahedra that share  a cornercorner with one Fe(7)O2F2 tetrahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and edges with two equivalent Fe(5)OF5 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one F(1), one F(13), one F(2), and one F(8) atom to form distorted FeO2F4 octahedra that share corners with three equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Fe(3)O2F4 octahedra,  an edgeedge with one Fe(1)OF5 octahedra,  an edgeedge with one Fe(4)OF5 octahedra, and  an edgeedge with one Fe(5)OF5 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), one F(3), one F(4), one F(7), and one F(9) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(11), one F(13), one F(3), one F(4), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and edges with two equivalent Fe(3)O2F4 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(10), one F(12), one F(2), one F(6), and one F(8) atom to form FeOF5 octahedra that share  a cornercorner with one Fe(7)O2F2 tetrahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and edges with two equivalent Fe(1)OF5 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(2), one F(11), one F(12), one F(3), one F(5), and one F(7) atom to form FeOF5 octahedra that share  an edgeedge with one Fe(3)O2F4 octahedra,  an edgeedge with one Fe(1)OF5 octahedra,  an edgeedge with one Fe(4)OF5 octahedra, and  an edgeedge with one Fe(5)OF5 octahedra. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(3), one F(13), and one F(6) atom to form FeO2F2 tetrahedra that share  a cornercorner with one Fe(1)OF5 octahedra,  a cornercorner with one Fe(5)OF5 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)OF5 octahedra, and corners with three equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Fe(2), one Fe(3), one Fe(4), and one Fe(7) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Fe(1), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(7) atom. There are thirteen inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Fe(1) and one Fe(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(4), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Fe(3) and one Fe(4) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Fe(1) and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Fe(3) and one Fe(6) atom. In the eighth F site, F(8) is bonded in a water-like geometry to one Fe(2) and one Fe(5) atom. In the ninth F site, F(9) is bonded in a water-like geometry to one Fe(3) and one Fe(4) atom. In the tenth F site, F(10) is bonded in a water-like geometry to one Fe(1) and one Fe(5) atom. In the eleventh F site, F(11) is bonded in a water-like geometry to one Fe(4) and one Fe(6) atom. In the twelfth F site, F(12) is bonded in a water-like geometry to one Fe(5) and one Fe(6) atom. In the thirteenth F site, F(13) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Fe(7) atom. is represented by the CIF card [CIF]
data_Fe7O3F13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.168
_cell_length_b   6.316
_cell_length_c   10.638
_cell_angle_alpha   107.643
_cell_angle_beta   106.934
_cell_angle_gamma   59.533
_symmetry_Int_Tables_number   1
_cell_volume   335.580
_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  0.764  0.766  0.263  1.0
  Fe  Fe1  1  0.014  0.511  0.995  1.0
  Fe  Fe2  1  0.769  0.739  0.751  1.0
  Fe  Fe3  1  0.728  0.266  0.748  1.0
  Fe  Fe4  1  0.262  0.263  0.259  1.0
  Fe  Fe5  1  0.475  0.002  0.495  1.0
  Fe  Fe6  1  0.320  0.790  0.928  1.0
  O  O7  1  0.643  0.592  0.871  1.0
  O  O8  1  0.588  0.092  0.365  1.0
  O  O9  1  0.114  0.649  0.885  1.0
  F  F10  1  0.857  0.839  0.131  1.0
  F  F11  1  0.900  0.408  0.148  1.0
  F  F12  1  0.828  0.920  0.623  1.0
  F  F13  1  0.865  0.376  0.655  1.0
  F  F14  1  0.626  0.673  0.373  1.0
  F  F15  1  0.390  0.891  0.127  1.0
  F  F16  1  0.422  0.871  0.616  1.0
  F  F17  1  0.342  0.345  0.125  1.0
  F  F18  1  0.653  0.109  0.849  1.0
  F  F19  1  0.111  0.605  0.362  1.0
  F  F20  1  0.410  0.329  0.619  1.0
  F  F21  1  0.150  0.140  0.371  1.0
  F  F22  1  0.098  0.125  0.876  1.0
[/CIF]
.