The material 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 in a 2-coordinate geometry to one F(1), one F(10), one F(5), and one F(6) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(2), and one F(8) atom. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(3), one F(4), one F(7), and one F(9) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(13), one F(4), and one F(9) atom. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(2), one F(10), one F(12), one F(2), and one F(8) atom. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one O(2), one F(11), one F(12), one F(3), one F(5), and one F(7) atom. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(13), and one F(6) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate 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 distorted single-bond geometry to one Fe(5) and one Fe(6) atom. In the third O site, O(3) is bonded in a 3-coordinate 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 single-bond geometry to one Fe(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Fe(2) and one Fe(5) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Fe(3) and one Fe(6) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Fe(3) and one Fe(4) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Fe(1) 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 distorted L-shaped geometry to one Fe(3) and one Fe(4) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(5) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Fe(4) and one Fe(6) atom. In the twelfth F site, F(12) is bonded in a distorted L-shaped geometry to one Fe(5) and one Fe(6) atom. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to 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   6.199
_cell_length_c   10.599
_cell_angle_alpha   106.707
_cell_angle_beta   90.563
_cell_angle_gamma   118.572
_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  0.734  0.234  0.263  1.0
  Fe  Fe1  1  0.470  0.489  0.995  1.0
  Fe  Fe2  1  0.243  0.261  0.751  1.0
  Fe  Fe3  1  0.754  0.734  0.748  1.0
  Fe  Fe4  1  0.734  0.737  0.259  1.0
  Fe  Fe5  1  0.018  0.998  0.495  1.0
  Fe  Fe6  1  0.818  0.210  0.928  1.0
  O  O7  1  0.635  0.408  0.871  1.0
  O  O8  1  0.685  0.908  0.365  1.0
  O  O9  1  0.122  0.351  0.885  1.0
  F  F10  1  0.435  0.161  0.131  1.0
  F  F11  1  0.839  0.592  0.148  1.0
  F  F12  1  0.874  0.080  0.623  1.0
  F  F13  1  0.413  0.624  0.655  1.0
  F  F14  1  0.075  0.327  0.373  1.0
  F  F15  1  0.845  0.109  0.127  1.0
  F  F16  1  0.323  0.129  0.616  1.0
  F  F17  1  0.438  0.655  0.125  1.0
  F  F18  1  0.087  0.891  0.849  1.0
  F  F19  1  0.645  0.395  0.362  1.0
  F  F20  1  0.880  0.671  0.619  1.0
  F  F21  1  0.080  0.860  0.371  1.0
  F  F22  1  0.653  0.875  0.876  1.0
[/CIF]
.
The material 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 in a 2-coordinate geometry to one F(1), one F(10), one F(5), and one F(6) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(2), and one F(8) atom. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(3), one F(4), one F(7), and one F(9) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(13), one F(4), and one F(9) atom. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(2), one F(10), one F(12), one F(2), and one F(8) atom. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one O(2), one F(11), one F(12), one F(3), one F(5), and one F(7) atom. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(13), and one F(6) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate 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 distorted single-bond geometry to one Fe(5) and one Fe(6) atom. In the third O site, O(3) is bonded in a 3-coordinate 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 single-bond geometry to one Fe(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Fe(2) and one Fe(5) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Fe(3) and one Fe(6) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Fe(3) and one Fe(4) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Fe(1) 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 distorted L-shaped geometry to one Fe(3) and one Fe(4) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(5) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Fe(4) and one Fe(6) atom. In the twelfth F site, F(12) is bonded in a distorted L-shaped geometry to one Fe(5) and one Fe(6) atom. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to 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   6.199
_cell_length_c   10.599
_cell_angle_alpha   106.707
_cell_angle_beta   90.563
_cell_angle_gamma   118.572
_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  0.734  0.234  0.263  1.0
  Fe  Fe1  1  0.470  0.489  0.995  1.0
  Fe  Fe2  1  0.243  0.261  0.751  1.0
  Fe  Fe3  1  0.754  0.734  0.748  1.0
  Fe  Fe4  1  0.734  0.737  0.259  1.0
  Fe  Fe5  1  0.018  0.998  0.495  1.0
  Fe  Fe6  1  0.818  0.210  0.928  1.0
  O  O7  1  0.635  0.408  0.871  1.0
  O  O8  1  0.685  0.908  0.365  1.0
  O  O9  1  0.122  0.351  0.885  1.0
  F  F10  1  0.435  0.161  0.131  1.0
  F  F11  1  0.839  0.592  0.148  1.0
  F  F12  1  0.874  0.080  0.623  1.0
  F  F13  1  0.413  0.624  0.655  1.0
  F  F14  1  0.075  0.327  0.373  1.0
  F  F15  1  0.845  0.109  0.127  1.0
  F  F16  1  0.323  0.129  0.616  1.0
  F  F17  1  0.438  0.655  0.125  1.0
  F  F18  1  0.087  0.891  0.849  1.0
  F  F19  1  0.645  0.395  0.362  1.0
  F  F20  1  0.880  0.671  0.619  1.0
  F  F21  1  0.080  0.860  0.371  1.0
  F  F22  1  0.653  0.875  0.876  1.0
[/CIF]
.