The structure 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 to one O(1), one F(10), one F(3), one F(4), one F(7), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with three equivalent Fe(2)F6 octahedra, corners with three equivalent Fe(4)OF5 octahedra, and  a faceface with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-64°. In the second Fe site, Fe(2) is bonded to one F(1), one F(4), one F(5), one F(7), one F(8), and one F(9) atom to form FeF6 octahedra that share corners with three equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(1)OF5 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the third Fe site, Fe(3) is bonded to one O(1), one F(10), one F(3), one F(4), one F(6), and one F(7) atom to form distorted FeOF5 octahedra that share  a cornercorner with one Fe(5)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra,  an edgeedge with one Fe(2)F6 octahedra, edges with two equivalent Fe(4)OF5 octahedra, and  a faceface with one Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(10), one F(11), one F(2), one F(3), and one F(6) atom to form FeOF5 octahedra that share corners with three equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(1)OF5 octahedra, and edges with two equivalent Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-42°. In the fifth Fe site, Fe(5) is bonded to one F(1), one F(11), one F(2), one F(5), one F(6), and one F(8) atom to form FeF6 octahedra that share  a cornercorner with one Fe(3)OF5 octahedra, corners with three equivalent Fe(2)F6 octahedra, and corners with three equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-57°. O(1) is bonded in a distorted T-shaped 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 T-shaped geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth F site, F(5) is bonded in a bent 150 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 distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) 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 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 trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Fe(4) and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [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   73.446
_cell_angle_beta   90.381
_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  0.819  0.581  0.398  1.0
  Fe  Fe1  1  0.531  0.066  0.139  1.0
  Fe  Fe2  1  0.502  0.986  0.500  1.0
  Fe  Fe3  1  0.035  0.090  0.663  1.0
  Fe  Fe4  1  0.269  0.562  0.913  1.0
  O  O5  1  0.919  0.264  0.492  1.0
  F  F6  1  0.957  0.309  0.086  1.0
  F  F7  1  0.037  0.319  0.793  1.0
  F  F8  1  0.453  0.305  0.594  1.0
  F  F9  1  0.533  0.281  0.278  1.0
  F  F10  1  0.469  0.326  0.968  1.0
  F  F11  1  0.581  0.793  0.727  1.0
  F  F12  1  0.594  0.814  0.335  1.0
  F  F13  1  0.525  0.810  0.026  1.0
  F  F14  1  0.123  0.831  0.203  1.0
  F  F15  1  0.067  0.821  0.544  1.0
  F  F16  1  0.098  0.817  0.842  1.0
[/CIF]
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The structure 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 to one O(1), one F(10), one F(3), one F(4), one F(7), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with three equivalent Fe(2)F6 octahedra, corners with three equivalent Fe(4)OF5 octahedra, and  a faceface with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-64°. In the second Fe site, Fe(2) is bonded to one F(1), one F(4), one F(5), one F(7), one F(8), and one F(9) atom to form FeF6 octahedra that share corners with three equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(1)OF5 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the third Fe site, Fe(3) is bonded to one O(1), one F(10), one F(3), one F(4), one F(6), and one F(7) atom to form distorted FeOF5 octahedra that share  a cornercorner with one Fe(5)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra,  an edgeedge with one Fe(2)F6 octahedra, edges with two equivalent Fe(4)OF5 octahedra, and  a faceface with one Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(10), one F(11), one F(2), one F(3), and one F(6) atom to form FeOF5 octahedra that share corners with three equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(1)OF5 octahedra, and edges with two equivalent Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-42°. In the fifth Fe site, Fe(5) is bonded to one F(1), one F(11), one F(2), one F(5), one F(6), and one F(8) atom to form FeF6 octahedra that share  a cornercorner with one Fe(3)OF5 octahedra, corners with three equivalent Fe(2)F6 octahedra, and corners with three equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-57°. O(1) is bonded in a distorted T-shaped 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 T-shaped geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth F site, F(5) is bonded in a bent 150 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 distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) 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 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 trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Fe(4) and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [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   73.446
_cell_angle_beta   90.381
_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  0.819  0.581  0.398  1.0
  Fe  Fe1  1  0.531  0.066  0.139  1.0
  Fe  Fe2  1  0.502  0.986  0.500  1.0
  Fe  Fe3  1  0.035  0.090  0.663  1.0
  Fe  Fe4  1  0.269  0.562  0.913  1.0
  O  O5  1  0.919  0.264  0.492  1.0
  F  F6  1  0.957  0.309  0.086  1.0
  F  F7  1  0.037  0.319  0.793  1.0
  F  F8  1  0.453  0.305  0.594  1.0
  F  F9  1  0.533  0.281  0.278  1.0
  F  F10  1  0.469  0.326  0.968  1.0
  F  F11  1  0.581  0.793  0.727  1.0
  F  F12  1  0.594  0.814  0.335  1.0
  F  F13  1  0.525  0.810  0.026  1.0
  F  F14  1  0.123  0.831  0.203  1.0
  F  F15  1  0.067  0.821  0.544  1.0
  F  F16  1  0.098  0.817  0.842  1.0
[/CIF]
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