The crystal structure described by Li(CoO2)3 is Corundum-derived structured and crystallizes in the monoclinic C2 space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(5)O6 octahedra, and edges with three equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(4)O6 octahedra, and edges with three equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the sixth Co site, Co(6) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(4)O6 octahedra, and edges with three equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are six 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(4), one Co(5), and one Co(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(4), one Co(5), and one Co(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(4), one Co(5), and one Co(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. is represented by the CIF file [CIF]
data_Li(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.893
_cell_length_b   10.117
_cell_length_c   4.894
_cell_angle_alpha   85.548
_cell_angle_beta   119.166
_cell_angle_gamma   85.581
_symmetry_Int_Tables_number   1
_cell_volume   209.070
_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  0.330  0.999  0.665  1.0
  Li  Li1  1  0.835  0.501  0.170  1.0
  Co  Co2  1  0.083  0.750  0.417  1.0
  Co  Co3  1  0.751  0.750  0.749  1.0
  Co  Co4  1  0.416  0.750  0.084  1.0
  Co  Co5  1  0.583  0.250  0.917  1.0
  Co  Co6  1  0.249  0.250  0.251  1.0
  Co  Co7  1  0.918  0.250  0.582  1.0
  O  O8  1  0.981  0.146  0.315  1.0
  O  O9  1  0.453  0.653  0.782  1.0
  O  O10  1  0.186  0.354  0.519  1.0
  O  O11  1  0.718  0.847  0.047  1.0
  O  O12  1  0.891  0.347  0.894  1.0
  O  O13  1  0.387  0.847  0.397  1.0
  O  O14  1  0.276  0.153  0.940  1.0
  O  O15  1  0.782  0.653  0.442  1.0
  O  O16  1  0.606  0.153  0.609  1.0
  O  O17  1  0.103  0.653  0.113  1.0
  O  O18  1  0.560  0.347  0.224  1.0
  O  O19  1  0.058  0.847  0.718  1.0
[/CIF]
.
The crystal structure described by Li(CoO2)3 is Corundum-derived structured and crystallizes in the monoclinic C2 space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(5)O6 octahedra, and edges with three equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(4)O6 octahedra, and edges with three equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the sixth Co site, Co(6) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(4)O6 octahedra, and edges with three equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are six 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(4), one Co(5), and one Co(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(4), one Co(5), and one Co(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(4), one Co(5), and one Co(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. is represented by the CIF file [CIF]
data_Li(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.893
_cell_length_b   10.117
_cell_length_c   4.894
_cell_angle_alpha   85.548
_cell_angle_beta   119.166
_cell_angle_gamma   85.581
_symmetry_Int_Tables_number   1
_cell_volume   209.070
_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  0.330  0.999  0.665  1.0
  Li  Li1  1  0.835  0.501  0.170  1.0
  Co  Co2  1  0.083  0.750  0.417  1.0
  Co  Co3  1  0.751  0.750  0.749  1.0
  Co  Co4  1  0.416  0.750  0.084  1.0
  Co  Co5  1  0.583  0.250  0.917  1.0
  Co  Co6  1  0.249  0.250  0.251  1.0
  Co  Co7  1  0.918  0.250  0.582  1.0
  O  O8  1  0.981  0.146  0.315  1.0
  O  O9  1  0.453  0.653  0.782  1.0
  O  O10  1  0.186  0.354  0.519  1.0
  O  O11  1  0.718  0.847  0.047  1.0
  O  O12  1  0.891  0.347  0.894  1.0
  O  O13  1  0.387  0.847  0.397  1.0
  O  O14  1  0.276  0.153  0.940  1.0
  O  O15  1  0.782  0.653  0.442  1.0
  O  O16  1  0.606  0.153  0.609  1.0
  O  O17  1  0.103  0.653  0.113  1.0
  O  O18  1  0.560  0.347  0.224  1.0
  O  O19  1  0.058  0.847  0.718  1.0
[/CIF]
.