The compound described by LiO2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent O(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent O(1) atoms. is represented by the CIF card [CIF]
data_LiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.198
_cell_length_b   4.198
_cell_length_c   4.141
_cell_angle_alpha   61.979
_cell_angle_beta   61.979
_cell_angle_gamma   88.793
_symmetry_Int_Tables_number   1
_cell_volume   54.987
_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  0.252  0.748  0.500  1.0
  Li  Li1  1  0.748  0.252  0.500  1.0
  O  O2  1  0.210  0.790  0.000  1.0
  O  O3  1  0.790  0.210  0.000  1.0
  O  O4  1  0.791  0.791  0.008  1.0
  O  O5  1  0.209  0.209  0.992  1.0
[/CIF]
.
The compound described by LiO2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent O(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent O(1) atoms. is represented by the CIF card [CIF]
data_LiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.198
_cell_length_b   4.198
_cell_length_c   4.141
_cell_angle_alpha   61.979
_cell_angle_beta   61.979
_cell_angle_gamma   88.793
_symmetry_Int_Tables_number   1
_cell_volume   54.987
_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  0.252  0.748  0.500  1.0
  Li  Li1  1  0.748  0.252  0.500  1.0
  O  O2  1  0.210  0.790  0.000  1.0
  O  O3  1  0.790  0.210  0.000  1.0
  O  O4  1  0.791  0.791  0.008  1.0
  O  O5  1  0.209  0.209  0.992  1.0
[/CIF]
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