The compound described by Fe5OF11 crystallizes in the triclinic P1 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one F(10), one F(2), one F(6), and one F(9) atom. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(10), one F(6), and one F(8) atom. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(3), one F(4), and one F(7) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one F(11), one F(3), one F(5), one F(7), and one F(8) atom. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(6), one F(7), and one F(9) atom. O(1) is bonded in a distorted L-shaped geometry to one Fe(3) and one Fe(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one Fe(5) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Fe(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Fe(3) and one Fe(4) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Fe(3) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Fe(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the eighth F site, F(8) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one Fe(4) atom. In the ninth F site, F(9) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(5) atom. In the tenth F site, F(10) is bonded in a water-like geometry to one Fe(1) and one Fe(2) atom. In the eleventh F site, F(11) is bonded in a distorted water-like geometry to one Fe(3) and one Fe(4) atom. is represented by the CIF card [CIF]
data_Fe5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   5.736
_cell_length_c   9.381
_cell_angle_alpha   106.259
_cell_angle_beta   91.046
_cell_angle_gamma   117.397
_symmetry_Int_Tables_number   1
_cell_volume   240.437
_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  0.627  0.608  0.333  1.0
  Fe  Fe1  1  0.342  0.851  0.166  1.0
  Fe  Fe2  1  0.318  0.334  0.660  1.0
  Fe  Fe3  1  0.670  0.177  0.842  1.0
  Fe  Fe4  1  0.863  0.124  0.435  1.0
  O  O5  1  0.271  0.305  0.466  1.0
  F  F6  1  0.035  0.971  0.251  1.0
  F  F7  1  0.694  0.687  0.536  1.0
  F  F8  1  0.451  0.370  0.837  1.0
  F  F9  1  0.066  0.498  0.726  1.0
  F  F10  1  0.722  0.207  0.032  1.0
  F  F11  1  0.490  0.886  0.361  1.0
  F  F12  1  0.582  0.144  0.633  1.0
  F  F13  1  0.319  0.843  0.949  1.0
  F  F14  1  0.916  0.472  0.299  1.0
  F  F15  1  0.547  0.616  0.150  1.0
  F  F16  1  0.927  0.013  0.771  1.0
[/CIF]
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The compound described by Fe5OF11 crystallizes in the triclinic P1 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one F(10), one F(2), one F(6), and one F(9) atom. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(10), one F(6), and one F(8) atom. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(3), one F(4), and one F(7) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one F(11), one F(3), one F(5), one F(7), and one F(8) atom. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(6), one F(7), and one F(9) atom. O(1) is bonded in a distorted L-shaped geometry to one Fe(3) and one Fe(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one Fe(5) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Fe(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Fe(3) and one Fe(4) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Fe(3) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Fe(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the eighth F site, F(8) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one Fe(4) atom. In the ninth F site, F(9) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(5) atom. In the tenth F site, F(10) is bonded in a water-like geometry to one Fe(1) and one Fe(2) atom. In the eleventh F site, F(11) is bonded in a distorted water-like geometry to one Fe(3) and one Fe(4) atom. is represented by the CIF card [CIF]
data_Fe5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   5.736
_cell_length_c   9.381
_cell_angle_alpha   106.259
_cell_angle_beta   91.046
_cell_angle_gamma   117.397
_symmetry_Int_Tables_number   1
_cell_volume   240.437
_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  0.627  0.608  0.333  1.0
  Fe  Fe1  1  0.342  0.851  0.166  1.0
  Fe  Fe2  1  0.318  0.334  0.660  1.0
  Fe  Fe3  1  0.670  0.177  0.842  1.0
  Fe  Fe4  1  0.863  0.124  0.435  1.0
  O  O5  1  0.271  0.305  0.466  1.0
  F  F6  1  0.035  0.971  0.251  1.0
  F  F7  1  0.694  0.687  0.536  1.0
  F  F8  1  0.451  0.370  0.837  1.0
  F  F9  1  0.066  0.498  0.726  1.0
  F  F10  1  0.722  0.207  0.032  1.0
  F  F11  1  0.490  0.886  0.361  1.0
  F  F12  1  0.582  0.144  0.633  1.0
  F  F13  1  0.319  0.843  0.949  1.0
  F  F14  1  0.916  0.472  0.299  1.0
  F  F15  1  0.547  0.616  0.150  1.0
  F  F16  1  0.927  0.013  0.771  1.0
[/CIF]
.