The structure described by Li(CoO2)3 is Corundum-derived structured and crystallizes in the monoclinic Cc 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, corners with four equivalent Co(2)O6 octahedra, corners with four equivalent Co(3)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, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-49°. There are three inequivalent Co sites. In the first Co site, Co(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 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(2)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Co site, Co(2) 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 CoO6 octahedra that share corners with four equivalent Li(1)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 9-49°. In the third Co site, Co(3) 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 CoO6 octahedra that share corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one 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 range from 10-48°. 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(1), one Co(2), and one Co(3) 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(1), one Co(2), and one Co(3) 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 to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of edge and corner-sharing OLiCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of edge and corner-sharing OLiCo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.784
_cell_length_b   4.815
_cell_length_c   10.070
_cell_angle_alpha   76.747
_cell_angle_beta   76.245
_cell_angle_gamma   60.228
_symmetry_Int_Tables_number   1
_cell_volume   193.862
_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  0.084  0.754  0.754  1.0
  Li  Li1  1  0.906  0.254  0.254  1.0
  Co  Co2  1  1.000  0.334  0.994  1.0
  Co  Co3  1  0.173  0.834  0.494  1.0
  Co  Co4  1  0.335  0.664  0.004  1.0
  Co  Co5  1  0.497  0.164  0.504  1.0
  Co  Co6  1  0.663  1.000  0.004  1.0
  Co  Co7  1  0.833  0.500  0.504  1.0
  O  O8  1  0.036  0.018  0.901  1.0
  O  O9  1  0.133  0.477  0.601  1.0
  O  O10  1  0.194  0.204  0.400  1.0
  O  O11  1  0.289  0.977  0.101  1.0
  O  O12  1  0.367  0.368  0.902  1.0
  O  O13  1  0.462  0.800  0.601  1.0
  O  O14  1  0.545  0.518  0.401  1.0
  O  O15  1  0.637  0.300  0.101  1.0
  O  O16  1  0.702  0.704  0.900  1.0
  O  O17  1  0.862  0.869  0.402  1.0
  O  O18  1  0.808  0.127  0.599  1.0
  O  O19  1  0.965  0.627  0.099  1.0
[/CIF]
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The structure described by Li(CoO2)3 is Corundum-derived structured and crystallizes in the monoclinic Cc 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, corners with four equivalent Co(2)O6 octahedra, corners with four equivalent Co(3)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, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-49°. There are three inequivalent Co sites. In the first Co site, Co(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 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(2)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Co site, Co(2) 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 CoO6 octahedra that share corners with four equivalent Li(1)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 9-49°. In the third Co site, Co(3) 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 CoO6 octahedra that share corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one 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 range from 10-48°. 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(1), one Co(2), and one Co(3) 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(1), one Co(2), and one Co(3) 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 to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of edge and corner-sharing OLiCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of edge and corner-sharing OLiCo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.784
_cell_length_b   4.815
_cell_length_c   10.070
_cell_angle_alpha   76.747
_cell_angle_beta   76.245
_cell_angle_gamma   60.228
_symmetry_Int_Tables_number   1
_cell_volume   193.862
_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  0.084  0.754  0.754  1.0
  Li  Li1  1  0.906  0.254  0.254  1.0
  Co  Co2  1  1.000  0.334  0.994  1.0
  Co  Co3  1  0.173  0.834  0.494  1.0
  Co  Co4  1  0.335  0.664  0.004  1.0
  Co  Co5  1  0.497  0.164  0.504  1.0
  Co  Co6  1  0.663  1.000  0.004  1.0
  Co  Co7  1  0.833  0.500  0.504  1.0
  O  O8  1  0.036  0.018  0.901  1.0
  O  O9  1  0.133  0.477  0.601  1.0
  O  O10  1  0.194  0.204  0.400  1.0
  O  O11  1  0.289  0.977  0.101  1.0
  O  O12  1  0.367  0.368  0.902  1.0
  O  O13  1  0.462  0.800  0.601  1.0
  O  O14  1  0.545  0.518  0.401  1.0
  O  O15  1  0.637  0.300  0.101  1.0
  O  O16  1  0.702  0.704  0.900  1.0
  O  O17  1  0.862  0.869  0.402  1.0
  O  O18  1  0.808  0.127  0.599  1.0
  O  O19  1  0.965  0.627  0.099  1.0
[/CIF]
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