The crystal structure described by Li4(CuO2)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OLi3Cu2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing OLi3Cu2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(1), one Li(3), one Cu(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Li4(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.551
_cell_length_b   6.551
_cell_length_c   7.353
_cell_angle_alpha   69.298
_cell_angle_beta   69.298
_cell_angle_gamma   78.936
_symmetry_Int_Tables_number   1
_cell_volume   275.354
_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  0.699  0.023  0.867  1.0
  Li  Li1  1  0.977  0.301  0.133  1.0
  Li  Li2  1  0.363  0.363  0.859  1.0
  Li  Li3  1  0.315  0.685  0.500  1.0
  Li  Li4  1  0.023  0.699  0.867  1.0
  Li  Li5  1  0.637  0.637  0.141  1.0
  Li  Li6  1  0.301  0.977  0.133  1.0
  Li  Li7  1  0.685  0.315  0.500  1.0
  Cu  Cu8  1  0.512  0.182  0.257  1.0
  Cu  Cu9  1  0.155  0.155  0.731  1.0
  Cu  Cu10  1  0.182  0.512  0.257  1.0
  Cu  Cu11  1  0.818  0.488  0.743  1.0
  Cu  Cu12  1  0.845  0.845  0.269  1.0
  Cu  Cu13  1  0.488  0.818  0.743  1.0
  O  O14  1  0.071  0.407  0.825  1.0
  O  O15  1  0.434  0.434  0.342  1.0
  O  O16  1  0.273  0.273  0.154  1.0
  O  O17  1  0.891  0.239  0.664  1.0
  O  O18  1  0.761  0.109  0.336  1.0
  O  O19  1  0.407  0.071  0.825  1.0
  O  O20  1  0.593  0.929  0.175  1.0
  O  O21  1  0.239  0.891  0.664  1.0
  O  O22  1  0.109  0.761  0.336  1.0
  O  O23  1  0.727  0.727  0.846  1.0
  O  O24  1  0.929  0.593  0.175  1.0
  O  O25  1  0.566  0.566  0.658  1.0
[/CIF]
.
The crystal structure described by Li4(CuO2)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OLi3Cu2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing OLi3Cu2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(1), one Li(3), one Cu(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Li4(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.551
_cell_length_b   6.551
_cell_length_c   7.353
_cell_angle_alpha   69.298
_cell_angle_beta   69.298
_cell_angle_gamma   78.936
_symmetry_Int_Tables_number   1
_cell_volume   275.354
_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  0.699  0.023  0.867  1.0
  Li  Li1  1  0.977  0.301  0.133  1.0
  Li  Li2  1  0.363  0.363  0.859  1.0
  Li  Li3  1  0.315  0.685  0.500  1.0
  Li  Li4  1  0.023  0.699  0.867  1.0
  Li  Li5  1  0.637  0.637  0.141  1.0
  Li  Li6  1  0.301  0.977  0.133  1.0
  Li  Li7  1  0.685  0.315  0.500  1.0
  Cu  Cu8  1  0.512  0.182  0.257  1.0
  Cu  Cu9  1  0.155  0.155  0.731  1.0
  Cu  Cu10  1  0.182  0.512  0.257  1.0
  Cu  Cu11  1  0.818  0.488  0.743  1.0
  Cu  Cu12  1  0.845  0.845  0.269  1.0
  Cu  Cu13  1  0.488  0.818  0.743  1.0
  O  O14  1  0.071  0.407  0.825  1.0
  O  O15  1  0.434  0.434  0.342  1.0
  O  O16  1  0.273  0.273  0.154  1.0
  O  O17  1  0.891  0.239  0.664  1.0
  O  O18  1  0.761  0.109  0.336  1.0
  O  O19  1  0.407  0.071  0.825  1.0
  O  O20  1  0.593  0.929  0.175  1.0
  O  O21  1  0.239  0.891  0.664  1.0
  O  O22  1  0.109  0.761  0.336  1.0
  O  O23  1  0.727  0.727  0.846  1.0
  O  O24  1  0.929  0.593  0.175  1.0
  O  O25  1  0.566  0.566  0.658  1.0
[/CIF]
.