The structure described by Li2(CoO2)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 range from 11-16°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 9-10°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. is represented by the CIF card [CIF]
data_Li2(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   5.021
_cell_length_c   5.201
_cell_angle_alpha   79.960
_cell_angle_beta   79.959
_cell_angle_gamma   119.678
_symmetry_Int_Tables_number   1
_cell_volume   106.844
_cell_formula_units_Z   1
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  0.324  0.676  1.000  1.0
  Li  Li1  1  0.670  0.330  1.000  1.0
  Co  Co2  1  0.495  0.505  0.500  1.0
  Co  Co3  1  0.169  0.831  0.500  1.0
  Co  Co4  1  0.838  0.162  0.500  1.0
  O  O5  1  0.762  0.755  0.705  1.0
  O  O6  1  0.540  0.902  0.272  1.0
  O  O7  1  0.245  0.238  0.295  1.0
  O  O8  1  0.098  0.460  0.728  1.0
  O  O9  1  0.922  0.565  0.299  1.0
  O  O10  1  0.435  0.078  0.701  1.0
[/CIF]
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The structure described by Li2(CoO2)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 range from 11-16°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 9-10°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. is represented by the CIF card [CIF]
data_Li2(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   5.021
_cell_length_c   5.201
_cell_angle_alpha   79.960
_cell_angle_beta   79.959
_cell_angle_gamma   119.678
_symmetry_Int_Tables_number   1
_cell_volume   106.844
_cell_formula_units_Z   1
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  0.324  0.676  1.000  1.0
  Li  Li1  1  0.670  0.330  1.000  1.0
  Co  Co2  1  0.495  0.505  0.500  1.0
  Co  Co3  1  0.169  0.831  0.500  1.0
  Co  Co4  1  0.838  0.162  0.500  1.0
  O  O5  1  0.762  0.755  0.705  1.0
  O  O6  1  0.540  0.902  0.272  1.0
  O  O7  1  0.245  0.238  0.295  1.0
  O  O8  1  0.098  0.460  0.728  1.0
  O  O9  1  0.922  0.565  0.299  1.0
  O  O10  1  0.435  0.078  0.701  1.0
[/CIF]
.