The material structure described by CaO2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. O(1) is bonded to four equivalent Ca(1) atoms to form a mixture of edge and corner-sharing OCa4 tetrahedra. is represented by the CIF card [CIF]
data_CaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.933
_cell_length_b   3.933
_cell_length_c   3.689
_cell_angle_alpha   67.541
_cell_angle_beta   67.541
_cell_angle_gamma   54.853
_symmetry_Int_Tables_number   1
_cell_volume   42.131
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  O  O1  1  0.252  0.252  0.299  1.0
  O  O2  1  0.748  0.748  0.701  1.0
[/CIF]
.
The material structure described by CaO2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. O(1) is bonded to four equivalent Ca(1) atoms to form a mixture of edge and corner-sharing OCa4 tetrahedra. is represented by the CIF card [CIF]
data_CaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.933
_cell_length_b   3.933
_cell_length_c   3.689
_cell_angle_alpha   67.541
_cell_angle_beta   67.541
_cell_angle_gamma   54.853
_symmetry_Int_Tables_number   1
_cell_volume   42.131
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  O  O1  1  0.252  0.252  0.299  1.0
  O  O2  1  0.748  0.748  0.701  1.0
[/CIF]
.