The compound described by LiFe2C2O7 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a T-shaped geometry to one O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O4 tetrahedra and corners with two equivalent Fe(2)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra and corners with two equivalent Li(2)O4 trigonal pyramids. In the second Fe site, Fe(2) is bonded to one O(10), one O(3), one O(5), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra and corners with two equivalent Li(2)O4 trigonal pyramids. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(2), and one O(8) atom to form corner-sharing FeO4 tetrahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(8), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(7) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(3) and one C(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(3) and one C(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one C(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one C(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Fe(3) and one C(3) atom. is represented by the CIF file [CIF]
data_LiFe2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.330
_cell_length_b   8.330
_cell_length_c   8.063
_cell_angle_alpha   89.466
_cell_angle_beta   89.466
_cell_angle_gamma   60.906
_symmetry_Int_Tables_number   1
_cell_volume   488.926
_cell_formula_units_Z   3
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  0.723  0.277  0.500  1.0
  Li  Li1  1  0.997  0.644  0.493  1.0
  Li  Li2  1  0.356  0.003  0.507  1.0
  Fe  Fe3  1  0.672  0.662  0.806  1.0
  Fe  Fe4  1  0.338  0.328  0.194  1.0
  Fe  Fe5  1  0.660  0.659  0.261  1.0
  Fe  Fe6  1  0.341  0.340  0.739  1.0
  Fe  Fe7  1  0.998  0.006  0.273  1.0
  Fe  Fe8  1  0.994  0.002  0.727  1.0
  C  C9  1  0.004  0.340  0.296  1.0
  C  C10  1  0.660  0.996  0.704  1.0
  C  C11  1  0.659  0.996  0.296  1.0
  C  C12  1  0.004  0.341  0.704  1.0
  C  C13  1  0.333  0.664  0.296  1.0
  C  C14  1  0.336  0.667  0.704  1.0
  O  O15  1  0.968  0.032  0.500  1.0
  O  O16  1  0.920  0.265  0.777  1.0
  O  O17  1  0.735  0.080  0.223  1.0
  O  O18  1  0.838  0.404  0.353  1.0
  O  O19  1  0.596  0.162  0.647  1.0
  O  O20  1  0.917  0.521  0.688  1.0
  O  O21  1  0.479  0.083  0.312  1.0
  O  O22  1  0.676  0.662  0.024  1.0
  O  O23  1  0.338  0.324  0.976  1.0
  O  O24  1  0.169  0.247  0.646  1.0
  O  O25  1  0.753  0.831  0.354  1.0
  O  O26  1  0.514  0.566  0.706  1.0
  O  O27  1  0.434  0.486  0.294  1.0
  O  O28  1  0.818  0.910  0.774  1.0
  O  O29  1  0.090  0.182  0.226  1.0
  O  O30  1  0.562  0.913  0.690  1.0
  O  O31  1  0.087  0.438  0.310  1.0
  O  O32  1  0.399  0.765  0.354  1.0
  O  O33  1  0.235  0.601  0.646  1.0
  O  O34  1  0.169  0.739  0.237  1.0
  O  O35  1  0.261  0.831  0.763  1.0
[/CIF]
.
The compound described by LiFe2C2O7 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a T-shaped geometry to one O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O4 tetrahedra and corners with two equivalent Fe(2)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra and corners with two equivalent Li(2)O4 trigonal pyramids. In the second Fe site, Fe(2) is bonded to one O(10), one O(3), one O(5), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra and corners with two equivalent Li(2)O4 trigonal pyramids. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(2), and one O(8) atom to form corner-sharing FeO4 tetrahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(8), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(7) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(3) and one C(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(3) and one C(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one C(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one C(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Fe(3) and one C(3) atom. is represented by the CIF file [CIF]
data_LiFe2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.330
_cell_length_b   8.330
_cell_length_c   8.063
_cell_angle_alpha   89.466
_cell_angle_beta   89.466
_cell_angle_gamma   60.906
_symmetry_Int_Tables_number   1
_cell_volume   488.926
_cell_formula_units_Z   3
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  0.723  0.277  0.500  1.0
  Li  Li1  1  0.997  0.644  0.493  1.0
  Li  Li2  1  0.356  0.003  0.507  1.0
  Fe  Fe3  1  0.672  0.662  0.806  1.0
  Fe  Fe4  1  0.338  0.328  0.194  1.0
  Fe  Fe5  1  0.660  0.659  0.261  1.0
  Fe  Fe6  1  0.341  0.340  0.739  1.0
  Fe  Fe7  1  0.998  0.006  0.273  1.0
  Fe  Fe8  1  0.994  0.002  0.727  1.0
  C  C9  1  0.004  0.340  0.296  1.0
  C  C10  1  0.660  0.996  0.704  1.0
  C  C11  1  0.659  0.996  0.296  1.0
  C  C12  1  0.004  0.341  0.704  1.0
  C  C13  1  0.333  0.664  0.296  1.0
  C  C14  1  0.336  0.667  0.704  1.0
  O  O15  1  0.968  0.032  0.500  1.0
  O  O16  1  0.920  0.265  0.777  1.0
  O  O17  1  0.735  0.080  0.223  1.0
  O  O18  1  0.838  0.404  0.353  1.0
  O  O19  1  0.596  0.162  0.647  1.0
  O  O20  1  0.917  0.521  0.688  1.0
  O  O21  1  0.479  0.083  0.312  1.0
  O  O22  1  0.676  0.662  0.024  1.0
  O  O23  1  0.338  0.324  0.976  1.0
  O  O24  1  0.169  0.247  0.646  1.0
  O  O25  1  0.753  0.831  0.354  1.0
  O  O26  1  0.514  0.566  0.706  1.0
  O  O27  1  0.434  0.486  0.294  1.0
  O  O28  1  0.818  0.910  0.774  1.0
  O  O29  1  0.090  0.182  0.226  1.0
  O  O30  1  0.562  0.913  0.690  1.0
  O  O31  1  0.087  0.438  0.310  1.0
  O  O32  1  0.399  0.765  0.354  1.0
  O  O33  1  0.235  0.601  0.646  1.0
  O  O34  1  0.169  0.739  0.237  1.0
  O  O35  1  0.261  0.831  0.763  1.0
[/CIF]
.