The crystal structure described by Li(CoO2)2 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. 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 edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. 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 edge and corner-sharing OLi2Co3 square pyramids. 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. is represented by the CIF file [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.666
_cell_length_b   5.666
_cell_length_c   5.668
_cell_angle_alpha   59.908
_cell_angle_beta   90.854
_cell_angle_gamma   61.037
_symmetry_Int_Tables_number   1
_cell_volume   129.513
_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  1.000  1.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  1.000  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.717  0.023  0.740  1.0
  O  O7  1  0.736  0.524  0.260  1.0
  O  O8  1  0.264  0.476  0.740  1.0
  O  O9  1  0.283  0.977  0.260  1.0
  O  O10  1  0.734  0.529  0.705  1.0
  O  O11  1  0.266  0.029  0.737  1.0
  O  O12  1  0.734  0.971  0.263  1.0
  O  O13  1  0.266  0.471  0.295  1.0
[/CIF]
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The crystal structure described by Li(CoO2)2 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. 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 edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. 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 edge and corner-sharing OLi2Co3 square pyramids. 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. is represented by the CIF file [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.666
_cell_length_b   5.666
_cell_length_c   5.668
_cell_angle_alpha   59.908
_cell_angle_beta   90.854
_cell_angle_gamma   61.037
_symmetry_Int_Tables_number   1
_cell_volume   129.513
_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  1.000  1.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  1.000  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.717  0.023  0.740  1.0
  O  O7  1  0.736  0.524  0.260  1.0
  O  O8  1  0.264  0.476  0.740  1.0
  O  O9  1  0.283  0.977  0.260  1.0
  O  O10  1  0.734  0.529  0.705  1.0
  O  O11  1  0.266  0.029  0.737  1.0
  O  O12  1  0.734  0.971  0.263  1.0
  O  O13  1  0.266  0.471  0.295  1.0
[/CIF]
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