The crystal structure described by LiCu2C2O7 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 Cu(2)O4 tetrahedra and corners with three equivalent Cu(3)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 Cu(1)O4 tetrahedra and corners with three equivalent Cu(4)O4 tetrahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form CuO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-68°. In the second Cu site, Cu(2) is bonded to one O(13), one O(3), one O(5), and one O(8) atom to form CuO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Cu(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-69°. In the third Cu site, Cu(3) is bonded to one O(10), one O(12), one O(2), and one O(7) atom to form CuO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Cu(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the fourth Cu site, Cu(4) is bonded to one O(14), one O(4), one O(6), and one O(7) atom to form CuO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Cu(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-68°. 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(10), one O(12), and one O(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(14), one O(4), and one O(6) 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 Cu(1), and one C(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Cu(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 Cu(4), and one C(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Cu(4), and one C(4) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Cu(3) and one Cu(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Cu(1) and one Cu(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Cu(4), and one C(4) atom. is represented by the CIF file [CIF]
data_LiCu2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.812
_cell_length_b   4.831
_cell_length_c   15.253
_cell_angle_alpha   89.669
_cell_angle_beta   89.639
_cell_angle_gamma   60.262
_symmetry_Int_Tables_number   1
_cell_volume   307.838
_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  0.002  0.996  0.499  1.0
  Li  Li1  1  0.000  0.004  1.000  1.0
  Cu  Cu2  1  0.331  0.334  0.865  1.0
  Cu  Cu3  1  0.332  0.337  0.635  1.0
  Cu  Cu4  1  0.664  0.668  0.366  1.0
  Cu  Cu5  1  0.671  0.660  0.136  1.0
  C  C6  1  0.664  0.670  0.589  1.0
  C  C7  1  0.665  0.669  0.911  1.0
  C  C8  1  0.333  0.332  0.411  1.0
  C  C9  1  0.334  0.330  0.089  1.0
  O  O10  1  0.388  0.926  0.913  1.0
  O  O11  1  0.078  0.609  0.413  1.0
  O  O12  1  0.386  0.689  0.586  1.0
  O  O13  1  0.316  0.606  0.091  1.0
  O  O14  1  0.685  0.927  0.587  1.0
  O  O15  1  0.074  0.313  0.086  1.0
  O  O16  1  0.677  0.679  0.251  1.0
  O  O17  1  0.348  0.309  0.750  1.0
  O  O18  1  0.923  0.691  0.908  1.0
  O  O19  1  0.309  0.076  0.412  1.0
  O  O20  1  0.684  0.393  0.913  1.0
  O  O21  1  0.613  0.309  0.410  1.0
  O  O22  1  0.920  0.393  0.591  1.0
  O  O23  1  0.610  0.072  0.088  1.0
[/CIF]
.
The crystal structure described by LiCu2C2O7 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 Cu(2)O4 tetrahedra and corners with three equivalent Cu(3)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 Cu(1)O4 tetrahedra and corners with three equivalent Cu(4)O4 tetrahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form CuO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-68°. In the second Cu site, Cu(2) is bonded to one O(13), one O(3), one O(5), and one O(8) atom to form CuO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Cu(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-69°. In the third Cu site, Cu(3) is bonded to one O(10), one O(12), one O(2), and one O(7) atom to form CuO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Cu(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the fourth Cu site, Cu(4) is bonded to one O(14), one O(4), one O(6), and one O(7) atom to form CuO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Cu(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-68°. 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(10), one O(12), and one O(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(14), one O(4), and one O(6) 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 Cu(1), and one C(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Cu(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 Cu(4), and one C(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Cu(4), and one C(4) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Cu(3) and one Cu(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Cu(1) and one Cu(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Cu(4), and one C(4) atom. is represented by the CIF file [CIF]
data_LiCu2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.812
_cell_length_b   4.831
_cell_length_c   15.253
_cell_angle_alpha   89.669
_cell_angle_beta   89.639
_cell_angle_gamma   60.262
_symmetry_Int_Tables_number   1
_cell_volume   307.838
_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  0.002  0.996  0.499  1.0
  Li  Li1  1  0.000  0.004  1.000  1.0
  Cu  Cu2  1  0.331  0.334  0.865  1.0
  Cu  Cu3  1  0.332  0.337  0.635  1.0
  Cu  Cu4  1  0.664  0.668  0.366  1.0
  Cu  Cu5  1  0.671  0.660  0.136  1.0
  C  C6  1  0.664  0.670  0.589  1.0
  C  C7  1  0.665  0.669  0.911  1.0
  C  C8  1  0.333  0.332  0.411  1.0
  C  C9  1  0.334  0.330  0.089  1.0
  O  O10  1  0.388  0.926  0.913  1.0
  O  O11  1  0.078  0.609  0.413  1.0
  O  O12  1  0.386  0.689  0.586  1.0
  O  O13  1  0.316  0.606  0.091  1.0
  O  O14  1  0.685  0.927  0.587  1.0
  O  O15  1  0.074  0.313  0.086  1.0
  O  O16  1  0.677  0.679  0.251  1.0
  O  O17  1  0.348  0.309  0.750  1.0
  O  O18  1  0.923  0.691  0.908  1.0
  O  O19  1  0.309  0.076  0.412  1.0
  O  O20  1  0.684  0.393  0.913  1.0
  O  O21  1  0.613  0.309  0.410  1.0
  O  O22  1  0.920  0.393  0.591  1.0
  O  O23  1  0.610  0.072  0.088  1.0
[/CIF]
.