The structure described by Li3CuO2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. Cu(1) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), two equivalent Li(3), and one Cu(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Cu(1) atom to form distorted edge-sharing OLi4Cu trigonal bipyramids. is represented by the CIF file [CIF]
data_Li3CuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.878
_cell_length_b   5.495
_cell_length_c   6.936
_cell_angle_alpha   63.009
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.542
_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  0.986  0.750  0.479  1.0
  Li  Li1  1  0.534  0.762  0.621  1.0
  Li  Li2  1  0.702  0.251  0.686  1.0
  Li  Li3  1  0.034  0.238  0.879  1.0
  Li  Li4  1  0.202  0.749  0.814  1.0
  Li  Li5  1  0.486  0.250  0.021  1.0
  Li  Li6  1  0.514  0.750  0.979  1.0
  Li  Li7  1  0.798  0.251  0.186  1.0
  Li  Li8  1  0.966  0.762  0.121  1.0
  Li  Li9  1  0.298  0.749  0.314  1.0
  Li  Li10  1  0.466  0.238  0.379  1.0
  Li  Li11  1  0.014  0.250  0.521  1.0
  Cu  Cu12  1  0.329  0.290  0.683  1.0
  Cu  Cu13  1  0.829  0.710  0.817  1.0
  Cu  Cu14  1  0.171  0.290  0.183  1.0
  Cu  Cu15  1  0.671  0.710  0.317  1.0
  O  O16  1  0.168  0.542  0.639  1.0
  O  O17  1  0.490  0.044  0.702  1.0
  O  O18  1  0.668  0.458  0.861  1.0
  O  O19  1  0.990  0.956  0.798  1.0
  O  O20  1  0.010  0.044  0.202  1.0
  O  O21  1  0.332  0.542  0.139  1.0
  O  O22  1  0.510  0.956  0.298  1.0
  O  O23  1  0.832  0.458  0.361  1.0
[/CIF]
.
The structure described by Li3CuO2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. Cu(1) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), two equivalent Li(3), and one Cu(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Cu(1) atom to form distorted edge-sharing OLi4Cu trigonal bipyramids. is represented by the CIF file [CIF]
data_Li3CuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.878
_cell_length_b   5.495
_cell_length_c   6.936
_cell_angle_alpha   63.009
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.542
_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  0.986  0.750  0.479  1.0
  Li  Li1  1  0.534  0.762  0.621  1.0
  Li  Li2  1  0.702  0.251  0.686  1.0
  Li  Li3  1  0.034  0.238  0.879  1.0
  Li  Li4  1  0.202  0.749  0.814  1.0
  Li  Li5  1  0.486  0.250  0.021  1.0
  Li  Li6  1  0.514  0.750  0.979  1.0
  Li  Li7  1  0.798  0.251  0.186  1.0
  Li  Li8  1  0.966  0.762  0.121  1.0
  Li  Li9  1  0.298  0.749  0.314  1.0
  Li  Li10  1  0.466  0.238  0.379  1.0
  Li  Li11  1  0.014  0.250  0.521  1.0
  Cu  Cu12  1  0.329  0.290  0.683  1.0
  Cu  Cu13  1  0.829  0.710  0.817  1.0
  Cu  Cu14  1  0.171  0.290  0.183  1.0
  Cu  Cu15  1  0.671  0.710  0.317  1.0
  O  O16  1  0.168  0.542  0.639  1.0
  O  O17  1  0.490  0.044  0.702  1.0
  O  O18  1  0.668  0.458  0.861  1.0
  O  O19  1  0.990  0.956  0.798  1.0
  O  O20  1  0.010  0.044  0.202  1.0
  O  O21  1  0.332  0.542  0.139  1.0
  O  O22  1  0.510  0.956  0.298  1.0
  O  O23  1  0.832  0.458  0.361  1.0
[/CIF]
.