The material described by Li(CoO2)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with two equivalent 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 10-18°. 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 CoO6 octahedra that share corners with three equivalent Li(1)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 10-15°. 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 CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-18°. 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 a mixture of corner and edge-sharing OLi2Co3 square pyramids. In the second O site, O(2) is bonded in a 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 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 to two equivalent Li(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.887
_cell_length_b   5.222
_cell_length_c   5.020
_cell_angle_alpha   101.484
_cell_angle_beta   90.000
_cell_angle_gamma   73.953
_symmetry_Int_Tables_number   1
_cell_volume   71.147
_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  0.253  0.495  0.259  1.0
  Co  Co1  1  0.007  0.986  0.995  1.0
  Co  Co2  1  0.490  0.019  0.508  1.0
  O  O3  1  0.892  0.217  0.343  1.0
  O  O4  1  0.402  0.197  0.898  1.0
  O  O5  1  0.101  0.798  0.628  1.0
  O  O6  1  0.606  0.788  0.119  1.0
[/CIF]
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The material described by Li(CoO2)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with two equivalent 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 10-18°. 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 CoO6 octahedra that share corners with three equivalent Li(1)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 10-15°. 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 CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-18°. 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 a mixture of corner and edge-sharing OLi2Co3 square pyramids. In the second O site, O(2) is bonded in a 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 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 to two equivalent Li(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2Co3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.887
_cell_length_b   5.222
_cell_length_c   5.020
_cell_angle_alpha   101.484
_cell_angle_beta   90.000
_cell_angle_gamma   73.953
_symmetry_Int_Tables_number   1
_cell_volume   71.147
_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  0.253  0.495  0.259  1.0
  Co  Co1  1  0.007  0.986  0.995  1.0
  Co  Co2  1  0.490  0.019  0.508  1.0
  O  O3  1  0.892  0.217  0.343  1.0
  O  O4  1  0.402  0.197  0.898  1.0
  O  O5  1  0.101  0.798  0.628  1.0
  O  O6  1  0.606  0.788  0.119  1.0
[/CIF]
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