The structure described by Li(CoO2)3 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(4) 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 two equivalent Co(4)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(3) 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 two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)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(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. 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(4) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Co(3) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(4) 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(3), and one Co(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.949
_cell_length_b   6.603
_cell_length_c   6.604
_cell_angle_alpha   79.671
_cell_angle_beta   83.285
_cell_angle_gamma   83.284
_symmetry_Int_Tables_number   1
_cell_volume   209.820
_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  0.991  0.334  0.667  1.0
  Li  Li1  1  0.509  0.833  0.166  1.0
  Co  Co2  1  0.750  0.083  0.417  1.0
  Co  Co3  1  0.250  0.583  0.917  1.0
  Co  Co4  1  0.250  0.250  0.250  1.0
  Co  Co5  1  0.750  0.750  0.750  1.0
  Co  Co6  1  0.750  0.417  0.083  1.0
  Co  Co7  1  0.250  0.916  0.584  1.0
  O  O8  1  0.651  0.479  0.812  1.0
  O  O9  1  0.118  0.990  0.323  1.0
  O  O10  1  0.849  0.688  0.021  1.0
  O  O11  1  0.382  0.177  0.510  1.0
  O  O12  1  0.394  0.844  0.846  1.0
  O  O13  1  0.888  0.343  0.351  1.0
  O  O14  1  0.106  0.322  0.987  1.0
  O  O15  1  0.612  0.823  0.482  1.0
  O  O16  1  0.106  0.654  0.656  1.0
  O  O17  1  0.612  0.149  0.157  1.0
  O  O18  1  0.394  0.513  0.178  1.0
  O  O19  1  0.888  0.018  0.676  1.0
[/CIF]
.
The structure described by Li(CoO2)3 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(4) 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 two equivalent Co(4)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(3) 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 two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)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(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. 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(4) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Co(3) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(4) 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(3), and one Co(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.949
_cell_length_b   6.603
_cell_length_c   6.604
_cell_angle_alpha   79.671
_cell_angle_beta   83.285
_cell_angle_gamma   83.284
_symmetry_Int_Tables_number   1
_cell_volume   209.820
_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  0.991  0.334  0.667  1.0
  Li  Li1  1  0.509  0.833  0.166  1.0
  Co  Co2  1  0.750  0.083  0.417  1.0
  Co  Co3  1  0.250  0.583  0.917  1.0
  Co  Co4  1  0.250  0.250  0.250  1.0
  Co  Co5  1  0.750  0.750  0.750  1.0
  Co  Co6  1  0.750  0.417  0.083  1.0
  Co  Co7  1  0.250  0.916  0.584  1.0
  O  O8  1  0.651  0.479  0.812  1.0
  O  O9  1  0.118  0.990  0.323  1.0
  O  O10  1  0.849  0.688  0.021  1.0
  O  O11  1  0.382  0.177  0.510  1.0
  O  O12  1  0.394  0.844  0.846  1.0
  O  O13  1  0.888  0.343  0.351  1.0
  O  O14  1  0.106  0.322  0.987  1.0
  O  O15  1  0.612  0.823  0.482  1.0
  O  O16  1  0.106  0.654  0.656  1.0
  O  O17  1  0.612  0.149  0.157  1.0
  O  O18  1  0.394  0.513  0.178  1.0
  O  O19  1  0.888  0.018  0.676  1.0
[/CIF]
.