The structure described by Li2(CoO2)3 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.882
_cell_length_b   4.882
_cell_length_c   5.052
_cell_angle_alpha   80.682
_cell_angle_beta   80.682
_cell_angle_gamma   119.919
_symmetry_Int_Tables_number   1
_cell_volume   98.736
_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  0.334  0.666  0.000  1.0
  Li  Li1  1  0.666  0.334  0.000  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.165  0.835  0.500  1.0
  Co  Co4  1  0.835  0.165  0.500  1.0
  O  O5  1  0.758  0.758  0.709  1.0
  O  O6  1  0.563  0.903  0.294  1.0
  O  O7  1  0.242  0.242  0.291  1.0
  O  O8  1  0.097  0.437  0.706  1.0
  O  O9  1  0.903  0.563  0.294  1.0
  O  O10  1  0.437  0.097  0.706  1.0
[/CIF]
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The structure described by Li2(CoO2)3 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.882
_cell_length_b   4.882
_cell_length_c   5.052
_cell_angle_alpha   80.682
_cell_angle_beta   80.682
_cell_angle_gamma   119.919
_symmetry_Int_Tables_number   1
_cell_volume   98.736
_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  0.334  0.666  0.000  1.0
  Li  Li1  1  0.666  0.334  0.000  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.165  0.835  0.500  1.0
  Co  Co4  1  0.835  0.165  0.500  1.0
  O  O5  1  0.758  0.758  0.709  1.0
  O  O6  1  0.563  0.903  0.294  1.0
  O  O7  1  0.242  0.242  0.291  1.0
  O  O8  1  0.097  0.437  0.706  1.0
  O  O9  1  0.903  0.563  0.294  1.0
  O  O10  1  0.437  0.097  0.706  1.0
[/CIF]
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