The compound described by Lix0CoO2 is Rutile-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second Co site, Co(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_CoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.869
_cell_length_b   8.309
_cell_length_c   9.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.615
_cell_formula_units_Z   8
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  0.750  0.912  0.601  1.0
  Co  Co1  1  0.250  0.588  0.101  1.0
  Co  Co2  1  0.750  0.412  0.899  1.0
  Co  Co3  1  0.250  0.088  0.399  1.0
  Co  Co4  1  0.250  0.053  0.884  1.0
  Co  Co5  1  0.750  0.947  0.116  1.0
  Co  Co6  1  0.250  0.553  0.616  1.0
  Co  Co7  1  0.750  0.447  0.384  1.0
  O  O8  1  0.750  0.414  0.569  1.0
  O  O9  1  0.250  0.586  0.431  1.0
  O  O10  1  0.750  0.914  0.931  1.0
  O  O11  1  0.250  0.086  0.069  1.0
  O  O12  1  0.750  0.537  0.214  1.0
  O  O13  1  0.250  0.463  0.786  1.0
  O  O14  1  0.750  0.037  0.286  1.0
  O  O15  1  0.250  0.963  0.714  1.0
  O  O16  1  0.750  0.116  0.522  1.0
  O  O17  1  0.250  0.884  0.478  1.0
  O  O18  1  0.750  0.616  0.978  1.0
  O  O19  1  0.250  0.384  0.022  1.0
  O  O20  1  0.250  0.306  0.352  1.0
  O  O21  1  0.750  0.694  0.648  1.0
  O  O22  1  0.750  0.194  0.852  1.0
  O  O23  1  0.250  0.806  0.148  1.0
[/CIF]
.
The compound described by Lix0CoO2 is Rutile-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second Co site, Co(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_CoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.869
_cell_length_b   8.309
_cell_length_c   9.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.615
_cell_formula_units_Z   8
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  0.750  0.912  0.601  1.0
  Co  Co1  1  0.250  0.588  0.101  1.0
  Co  Co2  1  0.750  0.412  0.899  1.0
  Co  Co3  1  0.250  0.088  0.399  1.0
  Co  Co4  1  0.250  0.053  0.884  1.0
  Co  Co5  1  0.750  0.947  0.116  1.0
  Co  Co6  1  0.250  0.553  0.616  1.0
  Co  Co7  1  0.750  0.447  0.384  1.0
  O  O8  1  0.750  0.414  0.569  1.0
  O  O9  1  0.250  0.586  0.431  1.0
  O  O10  1  0.750  0.914  0.931  1.0
  O  O11  1  0.250  0.086  0.069  1.0
  O  O12  1  0.750  0.537  0.214  1.0
  O  O13  1  0.250  0.463  0.786  1.0
  O  O14  1  0.750  0.037  0.286  1.0
  O  O15  1  0.250  0.963  0.714  1.0
  O  O16  1  0.750  0.116  0.522  1.0
  O  O17  1  0.250  0.884  0.478  1.0
  O  O18  1  0.750  0.616  0.978  1.0
  O  O19  1  0.250  0.384  0.022  1.0
  O  O20  1  0.250  0.306  0.352  1.0
  O  O21  1  0.750  0.694  0.648  1.0
  O  O22  1  0.750  0.194  0.852  1.0
  O  O23  1  0.250  0.806  0.148  1.0
[/CIF]
.