The structure described by Li3Cu5O4 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 3-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a water-like geometry to two equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(2) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(2) and one O(3) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one O(3) and one O(4) atom. In the fifth Cu site, Cu(5) is bonded in a distorted bent 150 degrees geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(1), one Cu(1), and one Cu(2) atom to form OLi3Cu2 trigonal bipyramids that share  a cornercorner with one O(4)Li4Cu2 octahedra, corners with three equivalent O(2)Li2Cu3 trigonal bipyramids,  an edgeedge with one O(4)Li4Cu2 octahedra,  an edgeedge with one O(2)Li2Cu3 trigonal bipyramid, and  an edgeedge with one O(1)Li3Cu2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 86°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Cu(1), one Cu(2), and one Cu(3) atom to form OLi2Cu3 trigonal bipyramids that share corners with two equivalent O(4)Li4Cu2 octahedra, corners with three equivalent O(1)Li3Cu2 trigonal bipyramids, and  an edgeedge with one O(1)Li3Cu2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-66°. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cu(3), one Cu(4), and one Cu(5) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Cu(4), and one Cu(5) atom to form distorted OLi4Cu2 octahedra that share  a cornercorner with one O(1)Li3Cu2 trigonal bipyramid, corners with two equivalent O(2)Li2Cu3 trigonal bipyramids,  an edgeedge with one O(4)Li4Cu2 octahedra, and  an edgeedge with one O(1)Li3Cu2 trigonal bipyramid. is represented by the CIF file [CIF]
data_Li3Cu5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   7.653
_cell_length_c   12.713
_cell_angle_alpha   72.428
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.070
_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  0.624  0.933  0.572  1.0
  Li  Li1  1  0.940  0.637  0.922  1.0
  Li  Li2  1  0.281  0.741  0.564  1.0
  Li  Li3  1  0.876  0.933  0.072  1.0
  Li  Li4  1  0.560  0.637  0.422  1.0
  Li  Li5  1  0.219  0.741  0.064  1.0
  Li  Li6  1  0.781  0.259  0.936  1.0
  Li  Li7  1  0.440  0.363  0.578  1.0
  Li  Li8  1  0.124  0.067  0.928  1.0
  Li  Li9  1  0.719  0.259  0.436  1.0
  Li  Li10  1  0.060  0.363  0.078  1.0
  Li  Li11  1  0.376  0.067  0.428  1.0
  Cu  Cu12  1  0.572  0.965  0.912  1.0
  Cu  Cu13  1  0.329  0.940  0.743  1.0
  Cu  Cu14  1  0.928  0.965  0.412  1.0
  Cu  Cu15  1  0.471  0.673  0.893  1.0
  Cu  Cu16  1  0.171  0.940  0.243  1.0
  Cu  Cu17  1  0.559  0.541  0.730  1.0
  Cu  Cu18  1  0.029  0.673  0.393  1.0
  Cu  Cu19  1  0.326  0.373  0.913  1.0
  Cu  Cu20  1  0.826  0.627  0.587  1.0
  Cu  Cu21  1  0.059  0.459  0.770  1.0
  Cu  Cu22  1  0.941  0.541  0.230  1.0
  Cu  Cu23  1  0.174  0.373  0.413  1.0
  Cu  Cu24  1  0.674  0.627  0.087  1.0
  Cu  Cu25  1  0.971  0.327  0.607  1.0
  Cu  Cu26  1  0.441  0.459  0.270  1.0
  Cu  Cu27  1  0.829  0.060  0.757  1.0
  Cu  Cu28  1  0.529  0.327  0.107  1.0
  Cu  Cu29  1  0.072  0.035  0.588  1.0
  Cu  Cu30  1  0.671  0.060  0.257  1.0
  Cu  Cu31  1  0.428  0.035  0.088  1.0
  O  O32  1  0.843  0.024  0.906  1.0
  O  O33  1  0.309  0.880  0.898  1.0
  O  O34  1  0.657  0.024  0.406  1.0
  O  O35  1  0.191  0.880  0.398  1.0
  O  O36  1  0.596  0.458  0.881  1.0
  O  O37  1  0.546  0.620  0.577  1.0
  O  O38  1  0.046  0.380  0.923  1.0
  O  O39  1  0.096  0.542  0.619  1.0
  O  O40  1  0.904  0.458  0.381  1.0
  O  O41  1  0.954  0.620  0.077  1.0
  O  O42  1  0.454  0.380  0.423  1.0
  O  O43  1  0.404  0.542  0.119  1.0
  O  O44  1  0.809  0.120  0.602  1.0
  O  O45  1  0.343  0.976  0.594  1.0
  O  O46  1  0.691  0.120  0.102  1.0
  O  O47  1  0.157  0.976  0.094  1.0
[/CIF]
.
The structure described by Li3Cu5O4 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 3-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a water-like geometry to two equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(2) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(2) and one O(3) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one O(3) and one O(4) atom. In the fifth Cu site, Cu(5) is bonded in a distorted bent 150 degrees geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(1), one Cu(1), and one Cu(2) atom to form OLi3Cu2 trigonal bipyramids that share  a cornercorner with one O(4)Li4Cu2 octahedra, corners with three equivalent O(2)Li2Cu3 trigonal bipyramids,  an edgeedge with one O(4)Li4Cu2 octahedra,  an edgeedge with one O(2)Li2Cu3 trigonal bipyramid, and  an edgeedge with one O(1)Li3Cu2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 86°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Cu(1), one Cu(2), and one Cu(3) atom to form OLi2Cu3 trigonal bipyramids that share corners with two equivalent O(4)Li4Cu2 octahedra, corners with three equivalent O(1)Li3Cu2 trigonal bipyramids, and  an edgeedge with one O(1)Li3Cu2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-66°. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cu(3), one Cu(4), and one Cu(5) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Cu(4), and one Cu(5) atom to form distorted OLi4Cu2 octahedra that share  a cornercorner with one O(1)Li3Cu2 trigonal bipyramid, corners with two equivalent O(2)Li2Cu3 trigonal bipyramids,  an edgeedge with one O(4)Li4Cu2 octahedra, and  an edgeedge with one O(1)Li3Cu2 trigonal bipyramid. is represented by the CIF file [CIF]
data_Li3Cu5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   7.653
_cell_length_c   12.713
_cell_angle_alpha   72.428
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.070
_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  0.624  0.933  0.572  1.0
  Li  Li1  1  0.940  0.637  0.922  1.0
  Li  Li2  1  0.281  0.741  0.564  1.0
  Li  Li3  1  0.876  0.933  0.072  1.0
  Li  Li4  1  0.560  0.637  0.422  1.0
  Li  Li5  1  0.219  0.741  0.064  1.0
  Li  Li6  1  0.781  0.259  0.936  1.0
  Li  Li7  1  0.440  0.363  0.578  1.0
  Li  Li8  1  0.124  0.067  0.928  1.0
  Li  Li9  1  0.719  0.259  0.436  1.0
  Li  Li10  1  0.060  0.363  0.078  1.0
  Li  Li11  1  0.376  0.067  0.428  1.0
  Cu  Cu12  1  0.572  0.965  0.912  1.0
  Cu  Cu13  1  0.329  0.940  0.743  1.0
  Cu  Cu14  1  0.928  0.965  0.412  1.0
  Cu  Cu15  1  0.471  0.673  0.893  1.0
  Cu  Cu16  1  0.171  0.940  0.243  1.0
  Cu  Cu17  1  0.559  0.541  0.730  1.0
  Cu  Cu18  1  0.029  0.673  0.393  1.0
  Cu  Cu19  1  0.326  0.373  0.913  1.0
  Cu  Cu20  1  0.826  0.627  0.587  1.0
  Cu  Cu21  1  0.059  0.459  0.770  1.0
  Cu  Cu22  1  0.941  0.541  0.230  1.0
  Cu  Cu23  1  0.174  0.373  0.413  1.0
  Cu  Cu24  1  0.674  0.627  0.087  1.0
  Cu  Cu25  1  0.971  0.327  0.607  1.0
  Cu  Cu26  1  0.441  0.459  0.270  1.0
  Cu  Cu27  1  0.829  0.060  0.757  1.0
  Cu  Cu28  1  0.529  0.327  0.107  1.0
  Cu  Cu29  1  0.072  0.035  0.588  1.0
  Cu  Cu30  1  0.671  0.060  0.257  1.0
  Cu  Cu31  1  0.428  0.035  0.088  1.0
  O  O32  1  0.843  0.024  0.906  1.0
  O  O33  1  0.309  0.880  0.898  1.0
  O  O34  1  0.657  0.024  0.406  1.0
  O  O35  1  0.191  0.880  0.398  1.0
  O  O36  1  0.596  0.458  0.881  1.0
  O  O37  1  0.546  0.620  0.577  1.0
  O  O38  1  0.046  0.380  0.923  1.0
  O  O39  1  0.096  0.542  0.619  1.0
  O  O40  1  0.904  0.458  0.381  1.0
  O  O41  1  0.954  0.620  0.077  1.0
  O  O42  1  0.454  0.380  0.423  1.0
  O  O43  1  0.404  0.542  0.119  1.0
  O  O44  1  0.809  0.120  0.602  1.0
  O  O45  1  0.343  0.976  0.594  1.0
  O  O46  1  0.691  0.120  0.102  1.0
  O  O47  1  0.157  0.976  0.094  1.0
[/CIF]
.