The material described by LiFe2C2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(6) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(2) atom. is represented by the CIF file [CIF]
data_LiFe2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.981
_cell_length_b   7.719
_cell_length_c   11.914
_cell_angle_alpha   68.416
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   682.488
_cell_formula_units_Z   4
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  0.735  0.490  0.903  1.0
  Li  Li1  1  0.235  0.510  0.597  1.0
  Li  Li2  1  0.765  0.490  0.403  1.0
  Li  Li3  1  0.265  0.510  0.097  1.0
  Fe  Fe4  1  0.600  0.781  0.614  1.0
  Fe  Fe5  1  0.612  0.336  0.145  1.0
  Fe  Fe6  1  0.888  0.336  0.645  1.0
  Fe  Fe7  1  0.100  0.219  0.886  1.0
  Fe  Fe8  1  0.900  0.781  0.114  1.0
  Fe  Fe9  1  0.112  0.664  0.355  1.0
  Fe  Fe10  1  0.388  0.664  0.855  1.0
  Fe  Fe11  1  0.400  0.219  0.386  1.0
  C  C12  1  0.891  0.738  0.537  1.0
  C  C13  1  0.391  0.262  0.963  1.0
  C  C14  1  0.913  0.172  0.087  1.0
  C  C15  1  0.413  0.828  0.413  1.0
  C  C16  1  0.587  0.172  0.587  1.0
  C  C17  1  0.087  0.828  0.913  1.0
  C  C18  1  0.609  0.738  0.037  1.0
  C  C19  1  0.109  0.262  0.463  1.0
  O  O20  1  0.835  0.863  0.576  1.0
  O  O21  1  0.584  0.624  0.772  1.0
  O  O22  1  0.419  0.705  0.524  1.0
  O  O23  1  0.779  0.608  0.538  1.0
  O  O24  1  0.279  0.392  0.962  1.0
  O  O25  1  0.829  0.203  0.169  1.0
  O  O26  1  0.919  0.295  0.976  1.0
  O  O27  1  0.084  0.376  0.728  1.0
  O  O28  1  0.542  0.266  0.998  1.0
  O  O29  1  0.501  0.979  0.389  1.0
  O  O30  1  0.001  0.021  0.111  1.0
  O  O31  1  0.335  0.137  0.924  1.0
  O  O32  1  0.671  0.203  0.669  1.0
  O  O33  1  0.042  0.734  0.502  1.0
  O  O34  1  0.958  0.266  0.498  1.0
  O  O35  1  0.329  0.797  0.331  1.0
  O  O36  1  0.665  0.863  0.076  1.0
  O  O37  1  0.999  0.979  0.889  1.0
  O  O38  1  0.499  0.021  0.611  1.0
  O  O39  1  0.458  0.734  0.002  1.0
  O  O40  1  0.916  0.624  0.272  1.0
  O  O41  1  0.081  0.705  0.024  1.0
  O  O42  1  0.171  0.797  0.831  1.0
  O  O43  1  0.721  0.608  0.038  1.0
  O  O44  1  0.221  0.392  0.462  1.0
  O  O45  1  0.581  0.295  0.476  1.0
  O  O46  1  0.416  0.376  0.228  1.0
  O  O47  1  0.165  0.137  0.424  1.0
[/CIF]
.
The material described by LiFe2C2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(6) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(2) atom. is represented by the CIF file [CIF]
data_LiFe2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.981
_cell_length_b   7.719
_cell_length_c   11.914
_cell_angle_alpha   68.416
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   682.488
_cell_formula_units_Z   4
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  0.735  0.490  0.903  1.0
  Li  Li1  1  0.235  0.510  0.597  1.0
  Li  Li2  1  0.765  0.490  0.403  1.0
  Li  Li3  1  0.265  0.510  0.097  1.0
  Fe  Fe4  1  0.600  0.781  0.614  1.0
  Fe  Fe5  1  0.612  0.336  0.145  1.0
  Fe  Fe6  1  0.888  0.336  0.645  1.0
  Fe  Fe7  1  0.100  0.219  0.886  1.0
  Fe  Fe8  1  0.900  0.781  0.114  1.0
  Fe  Fe9  1  0.112  0.664  0.355  1.0
  Fe  Fe10  1  0.388  0.664  0.855  1.0
  Fe  Fe11  1  0.400  0.219  0.386  1.0
  C  C12  1  0.891  0.738  0.537  1.0
  C  C13  1  0.391  0.262  0.963  1.0
  C  C14  1  0.913  0.172  0.087  1.0
  C  C15  1  0.413  0.828  0.413  1.0
  C  C16  1  0.587  0.172  0.587  1.0
  C  C17  1  0.087  0.828  0.913  1.0
  C  C18  1  0.609  0.738  0.037  1.0
  C  C19  1  0.109  0.262  0.463  1.0
  O  O20  1  0.835  0.863  0.576  1.0
  O  O21  1  0.584  0.624  0.772  1.0
  O  O22  1  0.419  0.705  0.524  1.0
  O  O23  1  0.779  0.608  0.538  1.0
  O  O24  1  0.279  0.392  0.962  1.0
  O  O25  1  0.829  0.203  0.169  1.0
  O  O26  1  0.919  0.295  0.976  1.0
  O  O27  1  0.084  0.376  0.728  1.0
  O  O28  1  0.542  0.266  0.998  1.0
  O  O29  1  0.501  0.979  0.389  1.0
  O  O30  1  0.001  0.021  0.111  1.0
  O  O31  1  0.335  0.137  0.924  1.0
  O  O32  1  0.671  0.203  0.669  1.0
  O  O33  1  0.042  0.734  0.502  1.0
  O  O34  1  0.958  0.266  0.498  1.0
  O  O35  1  0.329  0.797  0.331  1.0
  O  O36  1  0.665  0.863  0.076  1.0
  O  O37  1  0.999  0.979  0.889  1.0
  O  O38  1  0.499  0.021  0.611  1.0
  O  O39  1  0.458  0.734  0.002  1.0
  O  O40  1  0.916  0.624  0.272  1.0
  O  O41  1  0.081  0.705  0.024  1.0
  O  O42  1  0.171  0.797  0.831  1.0
  O  O43  1  0.721  0.608  0.038  1.0
  O  O44  1  0.221  0.392  0.462  1.0
  O  O45  1  0.581  0.295  0.476  1.0
  O  O46  1  0.416  0.376  0.228  1.0
  O  O47  1  0.165  0.137  0.424  1.0
[/CIF]
.