The crystal structure described by Li3Cu2O4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Li(1)O4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), three equivalent Li(1), and two equivalent Cu(1) atoms to form distorted OLi4Cu2 octahedra that share  a cornercorner with one O(1)Li4Cu2 octahedra, corners with five equivalent O(2)Li3Cu2 square pyramids, edges with four equivalent O(1)Li4Cu2 octahedra, and edges with three equivalent O(2)Li3Cu2 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and two equivalent Cu(1) atoms to form distorted OLi3Cu2 square pyramids that share corners with five equivalent O(1)Li4Cu2 octahedra, corners with two equivalent O(2)Li3Cu2 square pyramids, edges with three equivalent O(1)Li4Cu2 octahedra, and edges with three equivalent O(2)Li3Cu2 square pyramids. The corner-sharing octahedral tilt angles range from 3-87°. is represented by the CIF file [CIF]
data_Li3(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.143
_cell_length_b   5.143
_cell_length_c   7.159
_cell_angle_alpha   62.572
_cell_angle_beta   62.572
_cell_angle_gamma   31.120
_symmetry_Int_Tables_number   1
_cell_volume   85.974
_cell_formula_units_Z   1
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  0.360  0.360  0.871  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.640  0.640  0.129  1.0
  Cu  Cu3  1  0.842  0.842  0.269  1.0
  Cu  Cu4  1  0.158  0.158  0.731  1.0
  O  O5  1  0.744  0.744  0.821  1.0
  O  O6  1  0.256  0.256  0.179  1.0
  O  O7  1  0.435  0.435  0.345  1.0
  O  O8  1  0.565  0.565  0.655  1.0
[/CIF]
.
The crystal structure described by Li3Cu2O4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Li(1)O4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), three equivalent Li(1), and two equivalent Cu(1) atoms to form distorted OLi4Cu2 octahedra that share  a cornercorner with one O(1)Li4Cu2 octahedra, corners with five equivalent O(2)Li3Cu2 square pyramids, edges with four equivalent O(1)Li4Cu2 octahedra, and edges with three equivalent O(2)Li3Cu2 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and two equivalent Cu(1) atoms to form distorted OLi3Cu2 square pyramids that share corners with five equivalent O(1)Li4Cu2 octahedra, corners with two equivalent O(2)Li3Cu2 square pyramids, edges with three equivalent O(1)Li4Cu2 octahedra, and edges with three equivalent O(2)Li3Cu2 square pyramids. The corner-sharing octahedral tilt angles range from 3-87°. is represented by the CIF file [CIF]
data_Li3(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.143
_cell_length_b   5.143
_cell_length_c   7.159
_cell_angle_alpha   62.572
_cell_angle_beta   62.572
_cell_angle_gamma   31.120
_symmetry_Int_Tables_number   1
_cell_volume   85.974
_cell_formula_units_Z   1
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  0.360  0.360  0.871  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.640  0.640  0.129  1.0
  Cu  Cu3  1  0.842  0.842  0.269  1.0
  Cu  Cu4  1  0.158  0.158  0.731  1.0
  O  O5  1  0.744  0.744  0.821  1.0
  O  O6  1  0.256  0.256  0.179  1.0
  O  O7  1  0.435  0.435  0.345  1.0
  O  O8  1  0.565  0.565  0.655  1.0
[/CIF]
.