The structure described by Li(CoO2)4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(3)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 are 11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six 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 are 11°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(3), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Li(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.556
_cell_length_b   5.556
_cell_length_c   5.770
_cell_angle_alpha   90.013
_cell_angle_beta   118.676
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   128.406
_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
  Co  Co0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  1.000  0.500  0.500  1.0
  Co  Co3  1  1.000  0.000  0.500  1.0
  Li  Li4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.537  0.268  0.303  1.0
  O  O6  1  0.463  0.732  0.697  1.0
  O  O7  1  0.967  0.236  0.702  1.0
  O  O8  1  0.530  0.765  0.299  1.0
  O  O9  1  0.967  0.732  0.702  1.0
  O  O10  1  0.033  0.269  0.298  1.0
  O  O11  1  0.470  0.235  0.701  1.0
  O  O12  1  0.033  0.764  0.298  1.0
[/CIF]
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The structure described by Li(CoO2)4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(3)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 are 11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six 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 are 11°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(3), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Li(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.556
_cell_length_b   5.556
_cell_length_c   5.770
_cell_angle_alpha   90.013
_cell_angle_beta   118.676
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   128.406
_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
  Co  Co0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  1.000  0.500  0.500  1.0
  Co  Co3  1  1.000  0.000  0.500  1.0
  Li  Li4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.537  0.268  0.303  1.0
  O  O6  1  0.463  0.732  0.697  1.0
  O  O7  1  0.967  0.236  0.702  1.0
  O  O8  1  0.530  0.765  0.299  1.0
  O  O9  1  0.967  0.732  0.702  1.0
  O  O10  1  0.033  0.269  0.298  1.0
  O  O11  1  0.470  0.235  0.701  1.0
  O  O12  1  0.033  0.764  0.298  1.0
[/CIF]
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