The material described by LiO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with eight equivalent Li(1)O6 octahedra, corners with six equivalent O(1)Li3O tetrahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 69°. O(1) is bonded to three equivalent Li(1) and one O(1) atom to form distorted OLi3O tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with thirteen equivalent O(1)Li3O tetrahedra, and  an edgeedge with one O(1)Li3O tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. is represented by the CIF file [CIF]
data_LiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.961
_cell_length_b   3.986
_cell_length_c   4.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   57.783
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.632  0.086  1.0
  O  O3  1  0.500  0.368  0.914  1.0
  O  O4  1  0.000  0.132  0.414  1.0
  O  O5  1  0.000  0.868  0.586  1.0
[/CIF]
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The material described by LiO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with eight equivalent Li(1)O6 octahedra, corners with six equivalent O(1)Li3O tetrahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 69°. O(1) is bonded to three equivalent Li(1) and one O(1) atom to form distorted OLi3O tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with thirteen equivalent O(1)Li3O tetrahedra, and  an edgeedge with one O(1)Li3O tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. is represented by the CIF file [CIF]
data_LiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.961
_cell_length_b   3.986
_cell_length_c   4.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   57.783
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.632  0.086  1.0
  O  O3  1  0.500  0.368  0.914  1.0
  O  O4  1  0.000  0.132  0.414  1.0
  O  O5  1  0.000  0.868  0.586  1.0
[/CIF]
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