The material described by Fe2C9(O4F)2 is Indium-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two Fe2C9(O4F)2 clusters. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one C(2), one C(5), two equivalent C(1), and two equivalent C(3) atoms to form face-sharing FeC6 octahedra. In the second Fe site, Fe(2) is bonded to one C(2), one C(6), two equivalent C(3), and two equivalent C(4) atoms to form face-sharing FeC6 octahedra. There are six inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one O(2) atom. In the second C site, C(2) is bonded in a distorted water-like geometry to one Fe(1), one Fe(2), and two equivalent F(1) atoms. In the third C site, C(3) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one O(1) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Fe(2) and one O(4) atom. In the fifth C site, C(5) is bonded in a linear geometry to one Fe(1) and one O(5) atom. In the sixth C site, C(6) is bonded in a linear geometry to one Fe(2) and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(5) atom. F(1) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF card [CIF]
data_Fe2C9(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.847
_cell_length_b   6.314
_cell_length_c   8.504
_cell_angle_alpha   72.800
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   607.667
_cell_formula_units_Z   2
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  0.750  0.752  0.009  1.0
  Fe  Fe1  1  0.750  0.634  0.318  1.0
  Fe  Fe2  1  0.250  0.248  0.991  1.0
  Fe  Fe3  1  0.250  0.366  0.682  1.0
  C  C4  1  0.860  0.920  0.889  1.0
  C  C5  1  0.750  0.943  0.161  1.0
  C  C6  1  0.630  0.586  0.164  1.0
  C  C7  1  0.138  0.293  0.564  1.0
  C  C8  1  0.870  0.586  0.164  1.0
  C  C9  1  0.360  0.080  0.111  1.0
  C  C10  1  0.750  0.545  0.898  1.0
  C  C11  1  0.750  0.339  0.429  1.0
  C  C12  1  0.362  0.293  0.564  1.0
  C  C13  1  0.140  0.080  0.111  1.0
  C  C14  1  0.862  0.707  0.436  1.0
  C  C15  1  0.638  0.707  0.436  1.0
  C  C16  1  0.250  0.057  0.839  1.0
  C  C17  1  0.370  0.414  0.836  1.0
  C  C18  1  0.250  0.661  0.571  1.0
  C  C19  1  0.640  0.920  0.889  1.0
  C  C20  1  0.250  0.455  0.102  1.0
  C  C21  1  0.130  0.414  0.836  1.0
  O  O22  1  0.461  0.490  0.835  1.0
  O  O23  1  0.927  0.036  0.807  1.0
  O  O24  1  0.750  0.154  0.506  1.0
  O  O25  1  0.570  0.755  0.516  1.0
  O  O26  1  0.039  0.490  0.835  1.0
  O  O27  1  0.430  0.245  0.484  1.0
  O  O28  1  0.427  0.964  0.193  1.0
  O  O29  1  0.250  0.846  0.494  1.0
  O  O30  1  0.250  0.574  0.182  1.0
  O  O31  1  0.930  0.755  0.516  1.0
  O  O32  1  0.750  0.426  0.818  1.0
  O  O33  1  0.573  0.036  0.807  1.0
  O  O34  1  0.539  0.510  0.165  1.0
  O  O35  1  0.073  0.964  0.193  1.0
  O  O36  1  0.961  0.510  0.165  1.0
  O  O37  1  0.070  0.245  0.484  1.0
  F  F38  1  0.659  0.079  0.160  1.0
  F  F39  1  0.341  0.921  0.840  1.0
  F  F40  1  0.841  0.079  0.160  1.0
  F  F41  1  0.159  0.921  0.840  1.0
[/CIF]
.
The material described by Fe2C9(O4F)2 is Indium-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two Fe2C9(O4F)2 clusters. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one C(2), one C(5), two equivalent C(1), and two equivalent C(3) atoms to form face-sharing FeC6 octahedra. In the second Fe site, Fe(2) is bonded to one C(2), one C(6), two equivalent C(3), and two equivalent C(4) atoms to form face-sharing FeC6 octahedra. There are six inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one O(2) atom. In the second C site, C(2) is bonded in a distorted water-like geometry to one Fe(1), one Fe(2), and two equivalent F(1) atoms. In the third C site, C(3) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one O(1) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Fe(2) and one O(4) atom. In the fifth C site, C(5) is bonded in a linear geometry to one Fe(1) and one O(5) atom. In the sixth C site, C(6) is bonded in a linear geometry to one Fe(2) and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(5) atom. F(1) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF card [CIF]
data_Fe2C9(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.847
_cell_length_b   6.314
_cell_length_c   8.504
_cell_angle_alpha   72.800
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   607.667
_cell_formula_units_Z   2
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  0.750  0.752  0.009  1.0
  Fe  Fe1  1  0.750  0.634  0.318  1.0
  Fe  Fe2  1  0.250  0.248  0.991  1.0
  Fe  Fe3  1  0.250  0.366  0.682  1.0
  C  C4  1  0.860  0.920  0.889  1.0
  C  C5  1  0.750  0.943  0.161  1.0
  C  C6  1  0.630  0.586  0.164  1.0
  C  C7  1  0.138  0.293  0.564  1.0
  C  C8  1  0.870  0.586  0.164  1.0
  C  C9  1  0.360  0.080  0.111  1.0
  C  C10  1  0.750  0.545  0.898  1.0
  C  C11  1  0.750  0.339  0.429  1.0
  C  C12  1  0.362  0.293  0.564  1.0
  C  C13  1  0.140  0.080  0.111  1.0
  C  C14  1  0.862  0.707  0.436  1.0
  C  C15  1  0.638  0.707  0.436  1.0
  C  C16  1  0.250  0.057  0.839  1.0
  C  C17  1  0.370  0.414  0.836  1.0
  C  C18  1  0.250  0.661  0.571  1.0
  C  C19  1  0.640  0.920  0.889  1.0
  C  C20  1  0.250  0.455  0.102  1.0
  C  C21  1  0.130  0.414  0.836  1.0
  O  O22  1  0.461  0.490  0.835  1.0
  O  O23  1  0.927  0.036  0.807  1.0
  O  O24  1  0.750  0.154  0.506  1.0
  O  O25  1  0.570  0.755  0.516  1.0
  O  O26  1  0.039  0.490  0.835  1.0
  O  O27  1  0.430  0.245  0.484  1.0
  O  O28  1  0.427  0.964  0.193  1.0
  O  O29  1  0.250  0.846  0.494  1.0
  O  O30  1  0.250  0.574  0.182  1.0
  O  O31  1  0.930  0.755  0.516  1.0
  O  O32  1  0.750  0.426  0.818  1.0
  O  O33  1  0.573  0.036  0.807  1.0
  O  O34  1  0.539  0.510  0.165  1.0
  O  O35  1  0.073  0.964  0.193  1.0
  O  O36  1  0.961  0.510  0.165  1.0
  O  O37  1  0.070  0.245  0.484  1.0
  F  F38  1  0.659  0.079  0.160  1.0
  F  F39  1  0.341  0.921  0.840  1.0
  F  F40  1  0.841  0.079  0.160  1.0
  F  F41  1  0.159  0.921  0.840  1.0
[/CIF]
.