The structure described by Lix0CoO2 crystallizes in the orthorhombic Imma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one Co(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_CoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.538
_cell_length_b   5.538
_cell_length_c   5.538
_cell_angle_alpha   117.813
_cell_angle_beta   116.809
_cell_angle_gamma   94.727
_symmetry_Int_Tables_number   1
_cell_volume   124.536
_cell_formula_units_Z   4
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  0.613  0.863  0.750  1.0
  Co  Co1  1  0.387  0.137  0.250  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.245  0.234  0.489  1.0
  O  O5  1  0.216  0.253  0.963  1.0
  O  O6  1  0.245  0.755  0.011  1.0
  O  O7  1  0.790  0.253  0.537  1.0
  O  O8  1  0.210  0.747  0.463  1.0
  O  O9  1  0.784  0.747  0.037  1.0
  O  O10  1  0.755  0.245  0.989  1.0
  O  O11  1  0.755  0.766  0.511  1.0
[/CIF]
.
The structure described by Lix0CoO2 crystallizes in the orthorhombic Imma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one Co(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_CoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.538
_cell_length_b   5.538
_cell_length_c   5.538
_cell_angle_alpha   117.813
_cell_angle_beta   116.809
_cell_angle_gamma   94.727
_symmetry_Int_Tables_number   1
_cell_volume   124.536
_cell_formula_units_Z   4
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  0.613  0.863  0.750  1.0
  Co  Co1  1  0.387  0.137  0.250  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.245  0.234  0.489  1.0
  O  O5  1  0.216  0.253  0.963  1.0
  O  O6  1  0.245  0.755  0.011  1.0
  O  O7  1  0.790  0.253  0.537  1.0
  O  O8  1  0.210  0.747  0.463  1.0
  O  O9  1  0.784  0.747  0.037  1.0
  O  O10  1  0.755  0.245  0.989  1.0
  O  O11  1  0.755  0.766  0.511  1.0
[/CIF]
.