The material structure described by LiFe2C2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(12), one O(13), one O(2), one O(3), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra and corners with three equivalent Fe(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(14), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra and corners with three equivalent Fe(3)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), one O(3), one O(5), and one O(8) atom to form FeO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-69°. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form FeO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-68°. In the third Fe site, Fe(3) is bonded to one O(14), one O(4), one O(6), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-69°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(2), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Fe(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-68°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(13), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(9) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(14), one O(4), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(2) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one C(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one C(4) 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(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(3), and one C(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Fe(3), and one C(3) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Fe(3) and one Fe(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one C(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one C(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one C(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Fe(3), and one C(3) atom. is represented by the CIF card [CIF]
data_LiFe2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.831
_cell_length_b   4.873
_cell_length_c   15.829
_cell_angle_alpha   90.271
_cell_angle_beta   89.873
_cell_angle_gamma   119.585
_symmetry_Int_Tables_number   1
_cell_volume   324.094
_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  0.000  0.001  0.996  1.0
  Li  Li1  1  1.000  0.999  0.496  1.0
  Fe  Fe2  1  0.673  0.333  0.867  1.0
  Fe  Fe3  1  0.660  0.331  0.635  1.0
  Fe  Fe4  1  0.342  0.670  0.366  1.0
  Fe  Fe5  1  0.330  0.668  0.134  1.0
  C  C6  1  0.332  0.667  0.916  1.0
  C  C7  1  0.333  0.668  0.586  1.0
  C  C8  1  0.666  0.332  0.416  1.0
  C  C9  1  0.667  0.332  0.086  1.0
  O  O10  1  0.609  0.683  0.585  1.0
  O  O11  1  0.926  0.314  0.085  1.0
  O  O12  1  0.612  0.918  0.915  1.0
  O  O13  1  0.694  0.081  0.416  1.0
  O  O14  1  0.306  0.391  0.917  1.0
  O  O15  1  0.918  0.608  0.416  1.0
  O  O16  1  0.338  0.658  0.244  1.0
  O  O17  1  0.662  0.341  0.745  1.0
  O  O18  1  0.075  0.396  0.587  1.0
  O  O19  1  0.683  0.605  0.086  1.0
  O  O20  1  0.316  0.925  0.586  1.0
  O  O21  1  0.392  0.076  0.086  1.0
  O  O22  1  0.080  0.698  0.917  1.0
  O  O23  1  0.385  0.305  0.417  1.0
[/CIF]
.
The material structure described by LiFe2C2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(12), one O(13), one O(2), one O(3), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra and corners with three equivalent Fe(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(14), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra and corners with three equivalent Fe(3)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), one O(3), one O(5), and one O(8) atom to form FeO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-69°. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form FeO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-68°. In the third Fe site, Fe(3) is bonded to one O(14), one O(4), one O(6), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-69°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(2), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Fe(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-68°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(13), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(9) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(14), one O(4), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(2) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one C(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one C(4) 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(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(3), and one C(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Fe(3), and one C(3) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Fe(3) and one Fe(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one C(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one C(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one C(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Fe(3), and one C(3) atom. is represented by the CIF card [CIF]
data_LiFe2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.831
_cell_length_b   4.873
_cell_length_c   15.829
_cell_angle_alpha   90.271
_cell_angle_beta   89.873
_cell_angle_gamma   119.585
_symmetry_Int_Tables_number   1
_cell_volume   324.094
_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  0.000  0.001  0.996  1.0
  Li  Li1  1  1.000  0.999  0.496  1.0
  Fe  Fe2  1  0.673  0.333  0.867  1.0
  Fe  Fe3  1  0.660  0.331  0.635  1.0
  Fe  Fe4  1  0.342  0.670  0.366  1.0
  Fe  Fe5  1  0.330  0.668  0.134  1.0
  C  C6  1  0.332  0.667  0.916  1.0
  C  C7  1  0.333  0.668  0.586  1.0
  C  C8  1  0.666  0.332  0.416  1.0
  C  C9  1  0.667  0.332  0.086  1.0
  O  O10  1  0.609  0.683  0.585  1.0
  O  O11  1  0.926  0.314  0.085  1.0
  O  O12  1  0.612  0.918  0.915  1.0
  O  O13  1  0.694  0.081  0.416  1.0
  O  O14  1  0.306  0.391  0.917  1.0
  O  O15  1  0.918  0.608  0.416  1.0
  O  O16  1  0.338  0.658  0.244  1.0
  O  O17  1  0.662  0.341  0.745  1.0
  O  O18  1  0.075  0.396  0.587  1.0
  O  O19  1  0.683  0.605  0.086  1.0
  O  O20  1  0.316  0.925  0.586  1.0
  O  O21  1  0.392  0.076  0.086  1.0
  O  O22  1  0.080  0.698  0.917  1.0
  O  O23  1  0.385  0.305  0.417  1.0
[/CIF]
.