The material structure described by Li2Fe2C4O13Cl2 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded in a T-shaped geometry to one O(1), one O(4), and one O(6) atom. 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 distorted corner-sharing FeClO5 octahedra. The corner-sharing octahedral tilt angles are 61°. 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(5) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Li(1) and one O(7) atom. In the second O site, O(7) is bonded in a single-bond geometry to one O(6) atom. In the third O site, O(1) is bonded in a tetrahedral geometry to two equivalent Li(1) and two equivalent Fe(1) atoms. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one C(2) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. Cl(1) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the CIF file [CIF]
data_Li2Fe2C4Cl2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.922
_cell_length_b   12.582
_cell_length_c   8.390
_cell_angle_alpha   80.487
_cell_angle_beta   63.043
_cell_angle_gamma   36.470
_symmetry_Int_Tables_number   1
_cell_volume   721.477
_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
  Li  Li0  1  0.090  0.278  0.231  1.0
  Li  Li1  1  0.401  0.231  0.278  1.0
  Li  Li2  1  0.019  0.849  0.160  1.0
  Li  Li3  1  0.972  0.160  0.849  1.0
  Fe  Fe4  1  0.516  0.887  0.145  1.0
  Fe  Fe5  1  0.453  0.145  0.887  1.0
  Fe  Fe6  1  0.105  0.797  0.734  1.0
  Fe  Fe7  1  0.363  0.734  0.797  1.0
  C  C8  1  0.505  0.710  0.409  1.0
  C  C9  1  0.375  0.409  0.710  1.0
  C  C10  1  0.841  0.875  0.745  1.0
  C  C11  1  0.540  0.745  0.875  1.0
  C  C12  1  0.352  0.919  0.534  1.0
  C  C13  1  0.195  0.534  0.919  1.0
  C  C14  1  0.716  0.055  0.898  1.0
  C  C15  1  0.331  0.898  0.055  1.0
  Cl  Cl16  1  0.761  0.762  0.125  1.0
  Cl  Cl17  1  0.352  0.125  0.762  1.0
  Cl  Cl18  1  0.125  0.898  0.489  1.0
  Cl  Cl19  1  0.488  0.489  0.898  1.0
  O  O20  1  0.368  0.132  0.132  1.0
  O  O21  1  0.118  0.882  0.882  1.0
  O  O22  1  0.594  0.663  0.229  1.0
  O  O23  1  0.513  0.229  0.663  1.0
  O  O24  1  0.021  0.737  0.656  1.0
  O  O25  1  0.587  0.656  0.737  1.0
  O  O26  1  0.338  0.018  0.444  1.0
  O  O27  1  0.199  0.444  0.018  1.0
  O  O28  1  0.806  0.051  0.912  1.0
  O  O29  1  0.232  0.912  0.051  1.0
  O  O30  1  0.251  0.974  0.714  1.0
  O  O31  1  0.061  0.714  0.974  1.0
  O  O32  1  0.536  0.189  0.999  1.0
  O  O33  1  0.276  0.999  0.189  1.0
  O  O34  1  0.524  0.609  0.501  1.0
  O  O35  1  0.366  0.501  0.609  1.0
  O  O36  1  0.749  0.884  0.726  1.0
  O  O37  1  0.641  0.726  0.884  1.0
  O  O38  1  0.947  0.307  0.145  1.0
  O  O39  1  0.600  0.145  0.307  1.0
  O  O40  1  0.105  0.650  0.303  1.0
  O  O41  1  0.943  0.303  0.650  1.0
  O  O42  1  0.900  0.203  0.290  1.0
  O  O43  1  0.608  0.290  0.203  1.0
  O  O44  1  0.960  0.642  0.350  1.0
  O  O45  1  0.047  0.350  0.642  1.0
[/CIF]
.
The material structure described by Li2Fe2C4O13Cl2 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded in a T-shaped geometry to one O(1), one O(4), and one O(6) atom. 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 distorted corner-sharing FeClO5 octahedra. The corner-sharing octahedral tilt angles are 61°. 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(5) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Li(1) and one O(7) atom. In the second O site, O(7) is bonded in a single-bond geometry to one O(6) atom. In the third O site, O(1) is bonded in a tetrahedral geometry to two equivalent Li(1) and two equivalent Fe(1) atoms. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one C(2) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. Cl(1) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the CIF file [CIF]
data_Li2Fe2C4Cl2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.922
_cell_length_b   12.582
_cell_length_c   8.390
_cell_angle_alpha   80.487
_cell_angle_beta   63.043
_cell_angle_gamma   36.470
_symmetry_Int_Tables_number   1
_cell_volume   721.477
_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
  Li  Li0  1  0.090  0.278  0.231  1.0
  Li  Li1  1  0.401  0.231  0.278  1.0
  Li  Li2  1  0.019  0.849  0.160  1.0
  Li  Li3  1  0.972  0.160  0.849  1.0
  Fe  Fe4  1  0.516  0.887  0.145  1.0
  Fe  Fe5  1  0.453  0.145  0.887  1.0
  Fe  Fe6  1  0.105  0.797  0.734  1.0
  Fe  Fe7  1  0.363  0.734  0.797  1.0
  C  C8  1  0.505  0.710  0.409  1.0
  C  C9  1  0.375  0.409  0.710  1.0
  C  C10  1  0.841  0.875  0.745  1.0
  C  C11  1  0.540  0.745  0.875  1.0
  C  C12  1  0.352  0.919  0.534  1.0
  C  C13  1  0.195  0.534  0.919  1.0
  C  C14  1  0.716  0.055  0.898  1.0
  C  C15  1  0.331  0.898  0.055  1.0
  Cl  Cl16  1  0.761  0.762  0.125  1.0
  Cl  Cl17  1  0.352  0.125  0.762  1.0
  Cl  Cl18  1  0.125  0.898  0.489  1.0
  Cl  Cl19  1  0.488  0.489  0.898  1.0
  O  O20  1  0.368  0.132  0.132  1.0
  O  O21  1  0.118  0.882  0.882  1.0
  O  O22  1  0.594  0.663  0.229  1.0
  O  O23  1  0.513  0.229  0.663  1.0
  O  O24  1  0.021  0.737  0.656  1.0
  O  O25  1  0.587  0.656  0.737  1.0
  O  O26  1  0.338  0.018  0.444  1.0
  O  O27  1  0.199  0.444  0.018  1.0
  O  O28  1  0.806  0.051  0.912  1.0
  O  O29  1  0.232  0.912  0.051  1.0
  O  O30  1  0.251  0.974  0.714  1.0
  O  O31  1  0.061  0.714  0.974  1.0
  O  O32  1  0.536  0.189  0.999  1.0
  O  O33  1  0.276  0.999  0.189  1.0
  O  O34  1  0.524  0.609  0.501  1.0
  O  O35  1  0.366  0.501  0.609  1.0
  O  O36  1  0.749  0.884  0.726  1.0
  O  O37  1  0.641  0.726  0.884  1.0
  O  O38  1  0.947  0.307  0.145  1.0
  O  O39  1  0.600  0.145  0.307  1.0
  O  O40  1  0.105  0.650  0.303  1.0
  O  O41  1  0.943  0.303  0.650  1.0
  O  O42  1  0.900  0.203  0.290  1.0
  O  O43  1  0.608  0.290  0.203  1.0
  O  O44  1  0.960  0.642  0.350  1.0
  O  O45  1  0.047  0.350  0.642  1.0
[/CIF]
.