The structure described by LiCuO2 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. 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(3) and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and two equivalent Cu(2) atoms to form distorted OLi3Cu2 trigonal bipyramids that share corners with three equivalent O(4)Li2Cu2 tetrahedra and edges with two equivalent O(2)Li3Cu2 trigonal bipyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), and two equivalent Cu(1) atoms to form OLi2Cu2 tetrahedra that share corners with two equivalent O(4)Li2Cu2 tetrahedra and corners with three equivalent O(2)Li3Cu2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.210
_cell_length_c   7.387
_cell_angle_alpha   60.598
_cell_angle_beta   60.598
_cell_angle_gamma   30.441
_symmetry_Int_Tables_number   1
_cell_volume   87.460
_cell_formula_units_Z   2
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  0.342  0.342  0.889  1.0
  Li  Li1  1  0.055  0.055  0.422  1.0
  Cu  Cu2  1  0.864  0.864  0.263  1.0
  Cu  Cu3  1  0.157  0.157  0.732  1.0
  O  O4  1  0.737  0.737  0.813  1.0
  O  O5  1  0.565  0.565  0.662  1.0
  O  O6  1  0.435  0.435  0.359  1.0
  O  O7  1  0.281  0.281  0.184  1.0
[/CIF]
.
The structure described by LiCuO2 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. 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(3) and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and two equivalent Cu(2) atoms to form distorted OLi3Cu2 trigonal bipyramids that share corners with three equivalent O(4)Li2Cu2 tetrahedra and edges with two equivalent O(2)Li3Cu2 trigonal bipyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), and two equivalent Cu(1) atoms to form OLi2Cu2 tetrahedra that share corners with two equivalent O(4)Li2Cu2 tetrahedra and corners with three equivalent O(2)Li3Cu2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.210
_cell_length_c   7.387
_cell_angle_alpha   60.598
_cell_angle_beta   60.598
_cell_angle_gamma   30.441
_symmetry_Int_Tables_number   1
_cell_volume   87.460
_cell_formula_units_Z   2
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  0.342  0.342  0.889  1.0
  Li  Li1  1  0.055  0.055  0.422  1.0
  Cu  Cu2  1  0.864  0.864  0.263  1.0
  Cu  Cu3  1  0.157  0.157  0.732  1.0
  O  O4  1  0.737  0.737  0.813  1.0
  O  O5  1  0.565  0.565  0.662  1.0
  O  O6  1  0.435  0.435  0.359  1.0
  O  O7  1  0.281  0.281  0.184  1.0
[/CIF]
.