The structure described by Li(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. 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(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLiCo3 trigonal pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), one Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Li(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.771
_cell_length_b   5.771
_cell_length_c   5.292
_cell_angle_alpha   74.264
_cell_angle_beta   74.264
_cell_angle_gamma   59.723
_symmetry_Int_Tables_number   1
_cell_volume   144.594
_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  0.500  0.500  0.500  1.0
  Co  Co1  1  0.246  0.246  0.017  1.0
  Co  Co2  1  0.751  0.249  0.000  1.0
  Co  Co3  1  0.249  0.751  0.000  1.0
  Co  Co4  1  0.754  0.754  0.983  1.0
  O  O5  1  0.111  0.111  0.814  1.0
  O  O6  1  0.613  0.136  0.803  1.0
  O  O7  1  0.136  0.613  0.803  1.0
  O  O8  1  0.608  0.608  0.796  1.0
  O  O9  1  0.889  0.889  0.186  1.0
  O  O10  1  0.387  0.864  0.197  1.0
  O  O11  1  0.864  0.387  0.197  1.0
  O  O12  1  0.392  0.392  0.204  1.0
[/CIF]
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The structure described by Li(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. 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(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLiCo3 trigonal pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), one Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Li(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.771
_cell_length_b   5.771
_cell_length_c   5.292
_cell_angle_alpha   74.264
_cell_angle_beta   74.264
_cell_angle_gamma   59.723
_symmetry_Int_Tables_number   1
_cell_volume   144.594
_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  0.500  0.500  0.500  1.0
  Co  Co1  1  0.246  0.246  0.017  1.0
  Co  Co2  1  0.751  0.249  0.000  1.0
  Co  Co3  1  0.249  0.751  0.000  1.0
  Co  Co4  1  0.754  0.754  0.983  1.0
  O  O5  1  0.111  0.111  0.814  1.0
  O  O6  1  0.613  0.136  0.803  1.0
  O  O7  1  0.136  0.613  0.803  1.0
  O  O8  1  0.608  0.608  0.796  1.0
  O  O9  1  0.889  0.889  0.186  1.0
  O  O10  1  0.387  0.864  0.197  1.0
  O  O11  1  0.864  0.387  0.197  1.0
  O  O12  1  0.392  0.392  0.204  1.0
[/CIF]
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