The material described by CsO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. Cs(1) is bonded to six equivalent O(1) atoms to form CsO6 octahedra that share corners with eight equivalent Cs(1)O6 octahedra, corners with six equivalent O(1)Cs3O tetrahedra, and edges with two equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles are 77°. O(1) is bonded to three equivalent Cs(1) and one O(1) atom to form OCs3O tetrahedra that share corners with three equivalent Cs(1)O6 octahedra, corners with thirteen equivalent O(1)Cs3O tetrahedra, and  an edgeedge with one O(1)Cs3O tetrahedra. The corner-sharing octahedral tilt angles are 65°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.849
_cell_length_b   4.880
_cell_length_c   6.857
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.250
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Cs  Cs1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.886  0.000  0.442  1.0
  O  O3  1  0.386  0.500  0.058  1.0
  O  O4  1  0.614  0.500  0.942  1.0
  O  O5  1  0.114  0.000  0.558  1.0
[/CIF]
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The material described by CsO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. Cs(1) is bonded to six equivalent O(1) atoms to form CsO6 octahedra that share corners with eight equivalent Cs(1)O6 octahedra, corners with six equivalent O(1)Cs3O tetrahedra, and edges with two equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles are 77°. O(1) is bonded to three equivalent Cs(1) and one O(1) atom to form OCs3O tetrahedra that share corners with three equivalent Cs(1)O6 octahedra, corners with thirteen equivalent O(1)Cs3O tetrahedra, and  an edgeedge with one O(1)Cs3O tetrahedra. The corner-sharing octahedral tilt angles are 65°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.849
_cell_length_b   4.880
_cell_length_c   6.857
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.250
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Cs  Cs1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.886  0.000  0.442  1.0
  O  O3  1  0.386  0.500  0.058  1.0
  O  O4  1  0.614  0.500  0.942  1.0
  O  O5  1  0.114  0.000  0.558  1.0
[/CIF]
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