The compound described by Fe2C4O9Cl2 crystallizes in the orthorhombic Fdd2 space group. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one Cl(1) atom to form corner-sharing FeClO5 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Fe(1) and one C(2) atom. In the second O site, O(2) is bonded in a water-like geometry to one Fe(1) and one C(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Fe(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. Cl(1) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the CIF file [CIF]
data_Fe2C4Cl2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.517
_cell_length_b   12.270
_cell_length_c   8.649
_cell_angle_alpha   78.410
_cell_angle_beta   62.773
_cell_angle_gamma   38.818
_symmetry_Int_Tables_number   1
_cell_volume   767.797
_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  0.928  0.189  0.925  1.0
  Fe  Fe1  1  0.958  0.925  0.189  1.0
  Fe  Fe2  1  0.325  0.292  0.322  1.0
  Fe  Fe3  1  0.061  0.322  0.292  1.0
  C  C4  1  0.067  0.156  0.559  1.0
  C  C5  1  0.218  0.559  0.156  1.0
  C  C6  1  0.691  0.032  0.183  1.0
  C  C7  1  0.094  0.183  0.032  1.0
  C  C8  1  0.936  0.349  0.652  1.0
  C  C9  1  0.063  0.652  0.349  1.0
  C  C10  1  0.598  0.187  0.314  1.0
  C  C11  1  0.901  0.314  0.187  1.0
  Cl  Cl12  1  0.681  0.312  0.959  1.0
  Cl  Cl13  1  0.047  0.959  0.312  1.0
  Cl  Cl14  1  0.291  0.203  0.569  1.0
  Cl  Cl15  1  0.938  0.569  0.203  1.0
  O  O16  1  0.858  0.395  0.822  1.0
  O  O17  1  0.924  0.822  0.395  1.0
  O  O18  1  0.428  0.326  0.392  1.0
  O  O19  1  0.855  0.392  0.326  1.0
  O  O20  1  0.148  0.108  0.388  1.0
  O  O21  1  0.355  0.388  0.108  1.0
  O  O22  1  0.862  0.895  0.102  1.0
  O  O23  1  0.142  0.102  0.895  1.0
  O  O24  1  0.912  0.451  0.551  1.0
  O  O25  1  0.086  0.551  0.451  1.0
  O  O26  1  0.699  0.164  0.338  1.0
  O  O27  1  0.799  0.338  0.164  1.0
  O  O28  1  0.082  0.059  0.661  1.0
  O  O29  1  0.198  0.661  0.059  1.0
  O  O30  1  0.589  0.052  0.168  1.0
  O  O31  1  0.191  0.168  0.052  1.0
  O  O32  1  0.011  0.989  0.989  1.0
  O  O33  1  0.261  0.239  0.239  1.0
[/CIF]
.
The compound described by Fe2C4O9Cl2 crystallizes in the orthorhombic Fdd2 space group. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one Cl(1) atom to form corner-sharing FeClO5 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Fe(1) and one C(2) atom. In the second O site, O(2) is bonded in a water-like geometry to one Fe(1) and one C(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Fe(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. Cl(1) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the CIF file [CIF]
data_Fe2C4Cl2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.517
_cell_length_b   12.270
_cell_length_c   8.649
_cell_angle_alpha   78.410
_cell_angle_beta   62.773
_cell_angle_gamma   38.818
_symmetry_Int_Tables_number   1
_cell_volume   767.797
_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  0.928  0.189  0.925  1.0
  Fe  Fe1  1  0.958  0.925  0.189  1.0
  Fe  Fe2  1  0.325  0.292  0.322  1.0
  Fe  Fe3  1  0.061  0.322  0.292  1.0
  C  C4  1  0.067  0.156  0.559  1.0
  C  C5  1  0.218  0.559  0.156  1.0
  C  C6  1  0.691  0.032  0.183  1.0
  C  C7  1  0.094  0.183  0.032  1.0
  C  C8  1  0.936  0.349  0.652  1.0
  C  C9  1  0.063  0.652  0.349  1.0
  C  C10  1  0.598  0.187  0.314  1.0
  C  C11  1  0.901  0.314  0.187  1.0
  Cl  Cl12  1  0.681  0.312  0.959  1.0
  Cl  Cl13  1  0.047  0.959  0.312  1.0
  Cl  Cl14  1  0.291  0.203  0.569  1.0
  Cl  Cl15  1  0.938  0.569  0.203  1.0
  O  O16  1  0.858  0.395  0.822  1.0
  O  O17  1  0.924  0.822  0.395  1.0
  O  O18  1  0.428  0.326  0.392  1.0
  O  O19  1  0.855  0.392  0.326  1.0
  O  O20  1  0.148  0.108  0.388  1.0
  O  O21  1  0.355  0.388  0.108  1.0
  O  O22  1  0.862  0.895  0.102  1.0
  O  O23  1  0.142  0.102  0.895  1.0
  O  O24  1  0.912  0.451  0.551  1.0
  O  O25  1  0.086  0.551  0.451  1.0
  O  O26  1  0.699  0.164  0.338  1.0
  O  O27  1  0.799  0.338  0.164  1.0
  O  O28  1  0.082  0.059  0.661  1.0
  O  O29  1  0.198  0.661  0.059  1.0
  O  O30  1  0.589  0.052  0.168  1.0
  O  O31  1  0.191  0.168  0.052  1.0
  O  O32  1  0.011  0.989  0.989  1.0
  O  O33  1  0.261  0.239  0.239  1.0
[/CIF]
.