The structure described by Li(CoO2)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the second Co site, Co(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(2), and two equivalent Co(1) atoms to form distorted OLi2Co3 trigonal bipyramids that share corners with four equivalent O(3)Li2Co3 trigonal bipyramids, corners with two equivalent O(4)LiCo3 trigonal pyramids, edges with two equivalent O(2)Li2Co3 trigonal bipyramids, edges with two equivalent O(3)Li2Co3 trigonal bipyramids, and edges with two equivalent O(4)LiCo3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form distorted OLi2Co3 trigonal bipyramids that share corners with four equivalent O(2)Li2Co3 trigonal bipyramids, corners with three equivalent O(4)LiCo3 trigonal pyramids, edges with two equivalent O(2)Li2Co3 trigonal bipyramids, edges with two equivalent O(3)Li2Co3 trigonal bipyramids, and edges with two equivalent O(4)LiCo3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Co(1), and two equivalent Co(2) atoms to form OLiCo3 trigonal pyramids that share corners with two equivalent O(2)Li2Co3 trigonal bipyramids, corners with three equivalent O(3)Li2Co3 trigonal bipyramids, edges with two equivalent O(2)Li2Co3 trigonal bipyramids, edges with two equivalent O(3)Li2Co3 trigonal bipyramids, and  an edgeedge with one O(4)LiCo3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.878
_cell_length_b   5.711
_cell_length_c   5.745
_cell_angle_alpha   60.532
_cell_angle_beta   89.415
_cell_angle_gamma   89.210
_symmetry_Int_Tables_number   1
_cell_volume   139.314
_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  0.252  0.345  0.001  1.0
  Li  Li1  1  0.748  0.655  0.999  1.0
  Co  Co2  1  0.249  0.115  0.515  1.0
  Co  Co3  1  0.751  0.885  0.485  1.0
  Co  Co4  1  0.752  0.343  0.534  1.0
  Co  Co5  1  0.248  0.657  0.466  1.0
  O  O6  1  0.911  1.000  0.714  1.0
  O  O7  1  0.573  0.228  0.299  1.0
  O  O8  1  0.089  0.000  0.286  1.0
  O  O9  1  0.066  0.459  0.306  1.0
  O  O10  1  0.413  0.274  0.701  1.0
  O  O11  1  0.427  0.772  0.701  1.0
  O  O12  1  0.934  0.541  0.694  1.0
  O  O13  1  0.587  0.726  0.299  1.0
[/CIF]
.
The structure described by Li(CoO2)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the second Co site, Co(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(2), and two equivalent Co(1) atoms to form distorted OLi2Co3 trigonal bipyramids that share corners with four equivalent O(3)Li2Co3 trigonal bipyramids, corners with two equivalent O(4)LiCo3 trigonal pyramids, edges with two equivalent O(2)Li2Co3 trigonal bipyramids, edges with two equivalent O(3)Li2Co3 trigonal bipyramids, and edges with two equivalent O(4)LiCo3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form distorted OLi2Co3 trigonal bipyramids that share corners with four equivalent O(2)Li2Co3 trigonal bipyramids, corners with three equivalent O(4)LiCo3 trigonal pyramids, edges with two equivalent O(2)Li2Co3 trigonal bipyramids, edges with two equivalent O(3)Li2Co3 trigonal bipyramids, and edges with two equivalent O(4)LiCo3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Co(1), and two equivalent Co(2) atoms to form OLiCo3 trigonal pyramids that share corners with two equivalent O(2)Li2Co3 trigonal bipyramids, corners with three equivalent O(3)Li2Co3 trigonal bipyramids, edges with two equivalent O(2)Li2Co3 trigonal bipyramids, edges with two equivalent O(3)Li2Co3 trigonal bipyramids, and  an edgeedge with one O(4)LiCo3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.878
_cell_length_b   5.711
_cell_length_c   5.745
_cell_angle_alpha   60.532
_cell_angle_beta   89.415
_cell_angle_gamma   89.210
_symmetry_Int_Tables_number   1
_cell_volume   139.314
_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  0.252  0.345  0.001  1.0
  Li  Li1  1  0.748  0.655  0.999  1.0
  Co  Co2  1  0.249  0.115  0.515  1.0
  Co  Co3  1  0.751  0.885  0.485  1.0
  Co  Co4  1  0.752  0.343  0.534  1.0
  Co  Co5  1  0.248  0.657  0.466  1.0
  O  O6  1  0.911  1.000  0.714  1.0
  O  O7  1  0.573  0.228  0.299  1.0
  O  O8  1  0.089  0.000  0.286  1.0
  O  O9  1  0.066  0.459  0.306  1.0
  O  O10  1  0.413  0.274  0.701  1.0
  O  O11  1  0.427  0.772  0.701  1.0
  O  O12  1  0.934  0.541  0.694  1.0
  O  O13  1  0.587  0.726  0.299  1.0
[/CIF]
.