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 2-coordinate geometry to one O(1), one F(3), one F(7), and one F(9) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one F(1), one F(5), one F(7), one F(8), and one F(9) atom. In the third Fe site, Fe(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(10), one F(4), and one F(6) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(2), one F(3), and one F(6) atom. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one F(1), one F(11), one F(2), one F(5), one F(6), and one F(8) atom. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(5) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(4) and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Fe(4) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Fe(3) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one Fe(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(5) atom. In the ninth F site, F(9) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one Fe(3) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Fe(4) and one Fe(5) atom. is represented by the CIF card [CIF]
data_Fe5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   5.547
_cell_length_c   9.185
_cell_angle_alpha   106.554
_cell_angle_beta   89.619
_cell_angle_gamma   116.822
_symmetry_Int_Tables_number   1
_cell_volume   225.053
_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  0.181  0.021  0.398  1.0
  Fe  Fe1  1  0.469  0.795  0.139  1.0
  Fe  Fe2  1  0.498  0.514  0.500  1.0
  Fe  Fe3  1  0.965  0.247  0.663  1.0
  Fe  Fe4  1  0.731  0.525  0.913  1.0
  O  O5  1  0.081  0.244  0.492  1.0
  F  F6  1  0.043  0.606  0.086  1.0
  F  F7  1  0.963  0.888  0.793  1.0
  F  F8  1  0.547  0.101  0.594  1.0
  F  F9  1  0.467  0.442  0.278  1.0
  F  F10  1  0.531  0.706  0.968  1.0
  F  F11  1  0.419  0.480  0.727  1.0
  F  F12  1  0.406  0.851  0.335  1.0
  F  F13  1  0.475  0.164  0.026  1.0
  F  F14  1  0.877  0.966  0.203  1.0
  F  F15  1  0.933  0.635  0.544  1.0
  F  F16  1  0.902  0.342  0.842  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 2-coordinate geometry to one O(1), one F(3), one F(7), and one F(9) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one F(1), one F(5), one F(7), one F(8), and one F(9) atom. In the third Fe site, Fe(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(10), one F(4), and one F(6) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(2), one F(3), and one F(6) atom. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one F(1), one F(11), one F(2), one F(5), one F(6), and one F(8) atom. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(5) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(4) and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Fe(4) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Fe(3) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one Fe(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(5) atom. In the ninth F site, F(9) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one Fe(3) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Fe(4) and one Fe(5) atom. is represented by the CIF card [CIF]
data_Fe5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   5.547
_cell_length_c   9.185
_cell_angle_alpha   106.554
_cell_angle_beta   89.619
_cell_angle_gamma   116.822
_symmetry_Int_Tables_number   1
_cell_volume   225.053
_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  0.181  0.021  0.398  1.0
  Fe  Fe1  1  0.469  0.795  0.139  1.0
  Fe  Fe2  1  0.498  0.514  0.500  1.0
  Fe  Fe3  1  0.965  0.247  0.663  1.0
  Fe  Fe4  1  0.731  0.525  0.913  1.0
  O  O5  1  0.081  0.244  0.492  1.0
  F  F6  1  0.043  0.606  0.086  1.0
  F  F7  1  0.963  0.888  0.793  1.0
  F  F8  1  0.547  0.101  0.594  1.0
  F  F9  1  0.467  0.442  0.278  1.0
  F  F10  1  0.531  0.706  0.968  1.0
  F  F11  1  0.419  0.480  0.727  1.0
  F  F12  1  0.406  0.851  0.335  1.0
  F  F13  1  0.475  0.164  0.026  1.0
  F  F14  1  0.877  0.966  0.203  1.0
  F  F15  1  0.933  0.635  0.544  1.0
  F  F16  1  0.902  0.342  0.842  1.0
[/CIF]
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