The compound described by Li(CoO2)3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with three equivalent Co(4)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-52°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-50°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, edges with three equivalent Co(5)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Co(4)O6 octahedra, edges with three equivalent Co(6)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-50°. In the fourth Co site, Co(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-52°. In the fifth Co site, Co(5) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one 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 range from 12-48°. In the sixth Co site, Co(6) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-44°. There are twelve 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(1), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded to one Li(2), one Co(1), one Co(3), and one Co(5) atom to form a mixture of distorted corner and edge-sharing OLiCo3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the sixth O site, O(6) is bonded to one Li(1), one Co(2), one Co(4), and one Co(6) atom to form a mixture of corner and edge-sharing OLiCo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(6) atom. In the eighth O site, O(8) is bonded to one Li(2), one Co(1), one Co(3), and one Co(5) atom to form a mixture of distorted corner and edge-sharing OLiCo3 trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(6) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Co(2), one Co(4), and one Co(6) atom to form a mixture of corner and edge-sharing OLiCo3 trigonal pyramids. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(3), and one Co(5) atom. is represented by the CIF file [CIF]
data_Li(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.914
_cell_length_b   4.932
_cell_length_c   10.467
_cell_angle_alpha   90.349
_cell_angle_beta   103.237
_cell_angle_gamma   119.458
_symmetry_Int_Tables_number   1
_cell_volume   212.886
_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  0.832  0.076  0.245  1.0
  Li  Li1  1  0.167  0.906  0.746  1.0
  Co  Co2  1  0.337  0.001  0.004  1.0
  Co  Co3  1  0.003  0.169  0.507  1.0
  Co  Co4  1  0.997  0.334  0.996  1.0
  Co  Co5  1  0.654  0.494  0.492  1.0
  Co  Co6  1  0.663  0.669  0.997  1.0
  Co  Co7  1  0.334  0.834  0.498  1.0
  O  O8  1  0.050  0.032  0.095  1.0
  O  O9  1  0.610  0.117  0.400  1.0
  O  O10  1  0.384  0.180  0.599  1.0
  O  O11  1  0.272  0.298  0.905  1.0
  O  O12  1  0.735  0.367  0.094  1.0
  O  O13  1  0.248  0.456  0.402  1.0
  O  O14  1  0.071  0.544  0.597  1.0
  O  O15  1  0.941  0.644  0.904  1.0
  O  O16  1  0.422  0.713  0.101  1.0
  O  O17  1  0.735  0.879  0.599  1.0
  O  O18  1  0.953  0.829  0.402  1.0
  O  O19  1  0.580  0.952  0.899  1.0
[/CIF]
.
The compound described by Li(CoO2)3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with three equivalent Co(4)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-52°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-50°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, edges with three equivalent Co(5)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Co(4)O6 octahedra, edges with three equivalent Co(6)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-50°. In the fourth Co site, Co(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-52°. In the fifth Co site, Co(5) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one 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 range from 12-48°. In the sixth Co site, Co(6) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-44°. There are twelve 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(1), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded to one Li(2), one Co(1), one Co(3), and one Co(5) atom to form a mixture of distorted corner and edge-sharing OLiCo3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the sixth O site, O(6) is bonded to one Li(1), one Co(2), one Co(4), and one Co(6) atom to form a mixture of corner and edge-sharing OLiCo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(6) atom. In the eighth O site, O(8) is bonded to one Li(2), one Co(1), one Co(3), and one Co(5) atom to form a mixture of distorted corner and edge-sharing OLiCo3 trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(6) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Co(2), one Co(4), and one Co(6) atom to form a mixture of corner and edge-sharing OLiCo3 trigonal pyramids. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(3), and one Co(5) atom. is represented by the CIF file [CIF]
data_Li(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.914
_cell_length_b   4.932
_cell_length_c   10.467
_cell_angle_alpha   90.349
_cell_angle_beta   103.237
_cell_angle_gamma   119.458
_symmetry_Int_Tables_number   1
_cell_volume   212.886
_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  0.832  0.076  0.245  1.0
  Li  Li1  1  0.167  0.906  0.746  1.0
  Co  Co2  1  0.337  0.001  0.004  1.0
  Co  Co3  1  0.003  0.169  0.507  1.0
  Co  Co4  1  0.997  0.334  0.996  1.0
  Co  Co5  1  0.654  0.494  0.492  1.0
  Co  Co6  1  0.663  0.669  0.997  1.0
  Co  Co7  1  0.334  0.834  0.498  1.0
  O  O8  1  0.050  0.032  0.095  1.0
  O  O9  1  0.610  0.117  0.400  1.0
  O  O10  1  0.384  0.180  0.599  1.0
  O  O11  1  0.272  0.298  0.905  1.0
  O  O12  1  0.735  0.367  0.094  1.0
  O  O13  1  0.248  0.456  0.402  1.0
  O  O14  1  0.071  0.544  0.597  1.0
  O  O15  1  0.941  0.644  0.904  1.0
  O  O16  1  0.422  0.713  0.101  1.0
  O  O17  1  0.735  0.879  0.599  1.0
  O  O18  1  0.953  0.829  0.402  1.0
  O  O19  1  0.580  0.952  0.899  1.0
[/CIF]
.