The structure described by Li(CoO2)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with twelve equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Co(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are two inequivalent O sites. In the first O site, O(2) is bonded to two equivalent Li(1) and three equivalent Co(1) atoms to form distorted OLi2Co3 trigonal bipyramids that share corners with four equivalent O(2)Li2Co3 trigonal bipyramids, corners with five equivalent O(1)LiCo3 trigonal pyramids, edges with four equivalent O(2)Li2Co3 trigonal bipyramids, and edges with four equivalent O(1)LiCo3 trigonal pyramids. In the second O site, O(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form OLiCo3 trigonal pyramids that share corners with five equivalent O(2)Li2Co3 trigonal bipyramids, corners with five equivalent O(1)LiCo3 trigonal pyramids, edges with four equivalent O(2)Li2Co3 trigonal bipyramids, and  an edgeedge with one O(1)LiCo3 trigonal pyramid. is represented by the CIF file [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.715
_cell_length_b   5.715
_cell_length_c   4.897
_cell_angle_alpha   89.753
_cell_angle_beta   89.753
_cell_angle_gamma   59.255
_symmetry_Int_Tables_number   1
_cell_volume   137.431
_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  0.650  0.350  0.750  1.0
  Li  Li1  1  0.350  0.650  0.250  1.0
  Co  Co2  1  0.368  0.116  0.746  1.0
  Co  Co3  1  0.632  0.884  0.254  1.0
  Co  Co4  1  0.116  0.368  0.246  1.0
  Co  Co5  1  0.884  0.632  0.754  1.0
  O  O6  1  0.284  0.017  0.407  1.0
  O  O7  1  0.465  0.231  0.073  1.0
  O  O8  1  0.716  0.983  0.593  1.0
  O  O9  1  0.231  0.465  0.573  1.0
  O  O10  1  0.017  0.284  0.907  1.0
  O  O11  1  0.535  0.769  0.927  1.0
  O  O12  1  0.769  0.535  0.427  1.0
  O  O13  1  0.983  0.716  0.093  1.0
[/CIF]
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The structure described by Li(CoO2)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with twelve equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Co(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are two inequivalent O sites. In the first O site, O(2) is bonded to two equivalent Li(1) and three equivalent Co(1) atoms to form distorted OLi2Co3 trigonal bipyramids that share corners with four equivalent O(2)Li2Co3 trigonal bipyramids, corners with five equivalent O(1)LiCo3 trigonal pyramids, edges with four equivalent O(2)Li2Co3 trigonal bipyramids, and edges with four equivalent O(1)LiCo3 trigonal pyramids. In the second O site, O(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form OLiCo3 trigonal pyramids that share corners with five equivalent O(2)Li2Co3 trigonal bipyramids, corners with five equivalent O(1)LiCo3 trigonal pyramids, edges with four equivalent O(2)Li2Co3 trigonal bipyramids, and  an edgeedge with one O(1)LiCo3 trigonal pyramid. is represented by the CIF file [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.715
_cell_length_b   5.715
_cell_length_c   4.897
_cell_angle_alpha   89.753
_cell_angle_beta   89.753
_cell_angle_gamma   59.255
_symmetry_Int_Tables_number   1
_cell_volume   137.431
_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  0.650  0.350  0.750  1.0
  Li  Li1  1  0.350  0.650  0.250  1.0
  Co  Co2  1  0.368  0.116  0.746  1.0
  Co  Co3  1  0.632  0.884  0.254  1.0
  Co  Co4  1  0.116  0.368  0.246  1.0
  Co  Co5  1  0.884  0.632  0.754  1.0
  O  O6  1  0.284  0.017  0.407  1.0
  O  O7  1  0.465  0.231  0.073  1.0
  O  O8  1  0.716  0.983  0.593  1.0
  O  O9  1  0.231  0.465  0.573  1.0
  O  O10  1  0.017  0.284  0.907  1.0
  O  O11  1  0.535  0.769  0.927  1.0
  O  O12  1  0.769  0.535  0.427  1.0
  O  O13  1  0.983  0.716  0.093  1.0
[/CIF]
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