The material described by LiCuO2 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(7), and two equivalent O(5) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O5 square pyramid,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(2), one O(5), one O(7), and two equivalent O(3) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(8) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(3), one O(4), one O(7), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(8) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(4), one O(5), one O(6), and one O(7) atom. In the fourth Cu site, Cu(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cu(2), and one Cu(4) atom. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(3), one Li(4), one Cu(2), and one Cu(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(1), one Li(4), one Cu(1), and one Cu(3) atom. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(2), one Cu(3), and one Cu(4) atom to form edge-sharing OLi3Cu2 trigonal bipyramids. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(2), one Li(3), one Cu(1), and one Cu(3) atom. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Li(4), one Cu(1), and one Cu(2) atom to form edge-sharing OLi3Cu2 trigonal bipyramids. is represented by the CIF file [CIF]
data_LiCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.587
_cell_length_b   7.792
_cell_length_c   7.928
_cell_angle_alpha   66.063
_cell_angle_beta   81.645
_cell_angle_gamma   82.983
_symmetry_Int_Tables_number   1
_cell_volume   367.065
_cell_formula_units_Z   8
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  0.587  0.847  0.315  1.0
  Li  Li1  1  0.836  0.582  0.532  1.0
  Li  Li2  1  0.914  0.619  0.836  1.0
  Li  Li3  1  0.674  0.902  0.956  1.0
  Li  Li4  1  0.326  0.098  0.044  1.0
  Li  Li5  1  0.086  0.381  0.164  1.0
  Li  Li6  1  0.164  0.418  0.468  1.0
  Li  Li7  1  0.413  0.153  0.685  1.0
  Cu  Cu8  1  0.365  0.672  0.080  1.0
  Cu  Cu9  1  0.876  0.083  0.174  1.0
  Cu  Cu10  1  0.624  0.421  0.322  1.0
  Cu  Cu11  1  0.125  0.838  0.427  1.0
  Cu  Cu12  1  0.875  0.162  0.573  1.0
  Cu  Cu13  1  0.376  0.579  0.678  1.0
  Cu  Cu14  1  0.124  0.917  0.826  1.0
  Cu  Cu15  1  0.635  0.328  0.920  1.0
  O  O16  1  0.884  0.833  0.335  1.0
  O  O17  1  0.874  0.915  0.750  1.0
  O  O18  1  0.865  0.338  0.024  1.0
  O  O19  1  0.603  0.677  0.174  1.0
  O  O20  1  0.884  0.409  0.399  1.0
  O  O21  1  0.371  0.826  0.514  1.0
  O  O22  1  0.639  0.570  0.745  1.0
  O  O23  1  0.369  0.923  0.915  1.0
  O  O24  1  0.631  0.077  0.085  1.0
  O  O25  1  0.361  0.430  0.255  1.0
  O  O26  1  0.629  0.174  0.486  1.0
  O  O27  1  0.116  0.591  0.601  1.0
  O  O28  1  0.397  0.323  0.826  1.0
  O  O29  1  0.135  0.662  0.976  1.0
  O  O30  1  0.126  0.085  0.250  1.0
  O  O31  1  0.116  0.167  0.665  1.0
[/CIF]
.
The material described by LiCuO2 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(7), and two equivalent O(5) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O5 square pyramid,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(2), one O(5), one O(7), and two equivalent O(3) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(8) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(3), one O(4), one O(7), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(8) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(4), one O(5), one O(6), and one O(7) atom. In the fourth Cu site, Cu(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cu(2), and one Cu(4) atom. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(3), one Li(4), one Cu(2), and one Cu(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(1), one Li(4), one Cu(1), and one Cu(3) atom. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(2), one Cu(3), and one Cu(4) atom to form edge-sharing OLi3Cu2 trigonal bipyramids. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(2), one Li(3), one Cu(1), and one Cu(3) atom. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Li(4), one Cu(1), and one Cu(2) atom to form edge-sharing OLi3Cu2 trigonal bipyramids. is represented by the CIF file [CIF]
data_LiCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.587
_cell_length_b   7.792
_cell_length_c   7.928
_cell_angle_alpha   66.063
_cell_angle_beta   81.645
_cell_angle_gamma   82.983
_symmetry_Int_Tables_number   1
_cell_volume   367.065
_cell_formula_units_Z   8
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  0.587  0.847  0.315  1.0
  Li  Li1  1  0.836  0.582  0.532  1.0
  Li  Li2  1  0.914  0.619  0.836  1.0
  Li  Li3  1  0.674  0.902  0.956  1.0
  Li  Li4  1  0.326  0.098  0.044  1.0
  Li  Li5  1  0.086  0.381  0.164  1.0
  Li  Li6  1  0.164  0.418  0.468  1.0
  Li  Li7  1  0.413  0.153  0.685  1.0
  Cu  Cu8  1  0.365  0.672  0.080  1.0
  Cu  Cu9  1  0.876  0.083  0.174  1.0
  Cu  Cu10  1  0.624  0.421  0.322  1.0
  Cu  Cu11  1  0.125  0.838  0.427  1.0
  Cu  Cu12  1  0.875  0.162  0.573  1.0
  Cu  Cu13  1  0.376  0.579  0.678  1.0
  Cu  Cu14  1  0.124  0.917  0.826  1.0
  Cu  Cu15  1  0.635  0.328  0.920  1.0
  O  O16  1  0.884  0.833  0.335  1.0
  O  O17  1  0.874  0.915  0.750  1.0
  O  O18  1  0.865  0.338  0.024  1.0
  O  O19  1  0.603  0.677  0.174  1.0
  O  O20  1  0.884  0.409  0.399  1.0
  O  O21  1  0.371  0.826  0.514  1.0
  O  O22  1  0.639  0.570  0.745  1.0
  O  O23  1  0.369  0.923  0.915  1.0
  O  O24  1  0.631  0.077  0.085  1.0
  O  O25  1  0.361  0.430  0.255  1.0
  O  O26  1  0.629  0.174  0.486  1.0
  O  O27  1  0.116  0.591  0.601  1.0
  O  O28  1  0.397  0.323  0.826  1.0
  O  O29  1  0.135  0.662  0.976  1.0
  O  O30  1  0.126  0.085  0.250  1.0
  O  O31  1  0.116  0.167  0.665  1.0
[/CIF]
.