The material described by Li(CoO2)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. There are four 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 distorted edge-sharing OLi2Co3 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.883
_cell_length_b   5.548
_cell_length_c   5.062
_cell_angle_alpha   97.538
_cell_angle_beta   87.929
_cell_angle_gamma   76.095
_symmetry_Int_Tables_number   1
_cell_volume   77.717
_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  0.283  0.445  0.589  1.0
  Co  Co1  1  1.000  0.011  0.004  1.0
  Co  Co2  1  0.504  0.983  0.498  1.0
  O  O3  1  0.912  0.189  0.393  1.0
  O  O4  1  0.398  0.188  0.835  1.0
  O  O5  1  0.091  0.801  0.619  1.0
  O  O6  1  0.605  0.821  0.150  1.0
[/CIF]
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The material described by Li(CoO2)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. There are four 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 distorted edge-sharing OLi2Co3 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.883
_cell_length_b   5.548
_cell_length_c   5.062
_cell_angle_alpha   97.538
_cell_angle_beta   87.929
_cell_angle_gamma   76.095
_symmetry_Int_Tables_number   1
_cell_volume   77.717
_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  0.283  0.445  0.589  1.0
  Co  Co1  1  1.000  0.011  0.004  1.0
  Co  Co2  1  0.504  0.983  0.498  1.0
  O  O3  1  0.912  0.189  0.393  1.0
  O  O4  1  0.398  0.188  0.835  1.0
  O  O5  1  0.091  0.801  0.619  1.0
  O  O6  1  0.605  0.821  0.150  1.0
[/CIF]
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