data_Fe6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   7.26
_cell_angle_alpha   109.03
_cell_angle_beta   109.03
_cell_angle_gamma   71.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6O11F
_chemical_formula_sum   'Fe6 O11 F1'
_cell_volume   191.5
_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  0.53  0.0  0.55  1.0
  Fe  Fe1  1  0.97  0.0  0.43  1.0
  Fe  Fe2  1  0.09  0.0  0.2  1.0
  Fe  Fe3  1  0.48  0.0  0.09  1.0
  Fe  Fe4  1  0.36  0.0  0.39  1.0
  Fe  Fe5  1  0.0  0.0  0.58  1.0
  O  O6  1  0.98  0.01  0.43  1.0
  O  O7  1  0.02  0.98  0.2  1.0
  O  O8  1  0.04  0.0  0.35  1.0
  O  O9  1  0.09  0.0  0.16  1.0
  O  O10  1  0.92  0.0  0.28  1.0
  O  O11  1  0.01  0.0  0.52  1.0
  O  O12  1  0.86  0.0  0.64  1.0
  O  O13  1  0.02  0.02  0.2  1.0
  O  O14  1  0.98  0.99  0.43  1.0
  O  O15  1  0.45  0.25  0.01  1.0
  O  O16  1  0.45  0.75  0.01  1.0
  F  F17  1  0.03  0.0  0.99  1.0

data_Fe6O11F
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   7.26
_cell_angle_alpha   70.97
_cell_angle_beta   70.97
_cell_angle_gamma   71.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6O11F
_chemical_formula_sum   'Fe6 O11 F1'
_cell_volume   191.5
_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  0.03  0.0  0.43  1.0
  Fe  Fe1  1  0.47  0.0  0.55  1.0
  Fe  Fe2  1  0.52  0.0  0.09  1.0
  Fe  Fe3  1  0.64  0.0  0.39  1.0
  Fe  Fe4  1  0.91  0.0  0.2  1.0
  Fe  Fe5  1  1.0  0.0  0.58  1.0
  O  O6  1  0.02  0.01  0.43  1.0
  O  O7  1  0.02  0.99  0.43  1.0
  O  O8  1  0.08  0.0  0.28  1.0
  O  O9  1  0.14  0.0  0.64  1.0
  O  O10  1  0.55  0.25  0.01  1.0
  O  O11  1  0.55  0.75  0.01  1.0
  O  O12  1  0.91  0.0  0.16  1.0
  O  O13  1  0.96  0.0  0.35  1.0
  O  O14  1  0.98  0.02  0.2  1.0
  O  O15  1  0.98  0.98  0.2  1.0
  O  O16  1  0.99  0.0  0.52  1.0
  F  F17  1  0.97  0.0  0.99  1.0

Fe Fe Fe Fe Fe Fe O O O O O O O O O O O F
(FeO)2Fe4O9F is Cubic alpha N2-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Fe4O9F cluster and one FeO cluster. In the Fe4O9F cluster, there are four inequivalent Fe sites. In the first Fe site, Fe(2) is bonded in a bent 120 degrees geometry to one O(1), one O(5), and one O(9) atom. The Fe(2)-O(1) bond length is 0.09 Å. The Fe(2)-O(5) bond length is 1.05 Å. The Fe(2)-O(9) bond length is 0.07 Å. In the second Fe site, Fe(3) is bonded in a 3-coordinate geometry to one O(2), one O(3), one O(4), and one O(8) atom. The Fe(3)-O(2) bond length is 0.43 Å. The Fe(3)-O(3) bond length is 1.23 Å. The Fe(3)-O(4) bond length is 0.26 Å. The Fe(3)-O(8) bond length is 0.38 Å. In the third Fe site, Fe(4) is bonded in a 2-coordinate geometry to one O(10), one O(11), and one O(5) atom. The Fe(4)-O(10) bond length is 1.60 Å. The Fe(4)-O(11) bond length is 1.35 Å. The Fe(4)-O(5) bond length is 2.36 Å. In the fourth Fe site, Fe(5) is bonded in a 1-coordinate geometry to one O(3) atom. The Fe(5)-O(3) bond length is 1.73 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Fe(2) and one O(3) atom. The O(1)-O(3) bond length is 0.74 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Fe(3), one O(5), and one O(8) atom. The O(2)-O(5) bond length is 0.89 Å. The O(2)-O(8) bond length is 0.20 Å. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Fe(3), one Fe(5), one O(1), and one O(5) atom. The O(3)-O(5) bond length is 0.68 Å. In the fourth O site, O(4) is bonded in a single-bond geometry to one Fe(3) and one F(1) atom. The O(4)-F(1) bond length is 1.21 Å. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(4), one O(2), and one O(3) atom. In the sixth O site, O(8) is bonded in an L-shaped geometry to one Fe(3) and one O(2) atom. In the seventh O site, O(9) is bonded in a single-bond geometry to one Fe(2) atom. In the eighth O site, O(10) is bonded in a single-bond geometry to one Fe(4) atom. In the ninth O site, O(11) is bonded in a single-bond geometry to one Fe(4) atom. F(1) is bonded in a distorted single-bond geometry to one O(4) atom. In the FeO cluster, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one O(7) atom. The Fe(1)-O(7) bond length is 1.73 Å. In the second Fe site, Fe(6) is bonded in a bent 150 degrees geometry to one O(6) and one O(7) atom. The Fe(6)-O(6) bond length is 0.49 Å. The Fe(6)-O(7) bond length is 1.02 Å. There are two inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Fe(6) atom. In the second O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(6) atom.