The material structure described by Li3Cu2O4 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the third Li site, Li(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(3), and two equivalent Cu(1) atoms to form OLi3Cu2 square pyramids that share corners with three equivalent O(4)Li4Cu2 octahedra, corners with two equivalent O(2)Li3Cu2 trigonal bipyramids, edges with two equivalent O(1)Li3Cu2 square pyramids, and  an edgeedge with one O(2)Li3Cu2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-85°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and two equivalent Cu(2) atoms to form OLi3Cu2 trigonal bipyramids that share corners with two equivalent O(4)Li4Cu2 octahedra, corners with two equivalent O(1)Li3Cu2 square pyramids, edges with three equivalent O(4)Li4Cu2 octahedra,  an edgeedge with one O(1)Li3Cu2 square pyramid, and edges with two equivalent O(2)Li3Cu2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Cu(2) atoms to form distorted OLi4Cu2 octahedra that share corners with three equivalent O(1)Li3Cu2 square pyramids, corners with two equivalent O(2)Li3Cu2 trigonal bipyramids, edges with two equivalent O(4)Li4Cu2 octahedra, and edges with three equivalent O(2)Li3Cu2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   7.151
_cell_angle_alpha   62.892
_cell_angle_beta   62.892
_cell_angle_gamma   31.039
_symmetry_Int_Tables_number   1
_cell_volume   86.308
_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  0.351  0.351  0.879  1.0
  Li  Li1  1  0.633  0.633  0.135  1.0
  Li  Li2  1  0.985  0.985  0.513  1.0
  Cu  Cu3  1  0.835  0.835  0.274  1.0
  Cu  Cu4  1  0.149  0.149  0.738  1.0
  O  O5  1  0.428  0.428  0.350  1.0
  O  O6  1  0.554  0.554  0.663  1.0
  O  O7  1  0.249  0.249  0.184  1.0
  O  O8  1  0.737  0.737  0.825  1.0
[/CIF]
.
The material structure described by Li3Cu2O4 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the third Li site, Li(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(3), and two equivalent Cu(1) atoms to form OLi3Cu2 square pyramids that share corners with three equivalent O(4)Li4Cu2 octahedra, corners with two equivalent O(2)Li3Cu2 trigonal bipyramids, edges with two equivalent O(1)Li3Cu2 square pyramids, and  an edgeedge with one O(2)Li3Cu2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-85°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and two equivalent Cu(2) atoms to form OLi3Cu2 trigonal bipyramids that share corners with two equivalent O(4)Li4Cu2 octahedra, corners with two equivalent O(1)Li3Cu2 square pyramids, edges with three equivalent O(4)Li4Cu2 octahedra,  an edgeedge with one O(1)Li3Cu2 square pyramid, and edges with two equivalent O(2)Li3Cu2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Cu(2) atoms to form distorted OLi4Cu2 octahedra that share corners with three equivalent O(1)Li3Cu2 square pyramids, corners with two equivalent O(2)Li3Cu2 trigonal bipyramids, edges with two equivalent O(4)Li4Cu2 octahedra, and edges with three equivalent O(2)Li3Cu2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   7.151
_cell_angle_alpha   62.892
_cell_angle_beta   62.892
_cell_angle_gamma   31.039
_symmetry_Int_Tables_number   1
_cell_volume   86.308
_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  0.351  0.351  0.879  1.0
  Li  Li1  1  0.633  0.633  0.135  1.0
  Li  Li2  1  0.985  0.985  0.513  1.0
  Cu  Cu3  1  0.835  0.835  0.274  1.0
  Cu  Cu4  1  0.149  0.149  0.738  1.0
  O  O5  1  0.428  0.428  0.350  1.0
  O  O6  1  0.554  0.554  0.663  1.0
  O  O7  1  0.249  0.249  0.184  1.0
  O  O8  1  0.737  0.737  0.825  1.0
[/CIF]
.