The crystal structure described by CaO2 is Fluorite-like structured and crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a body-centered cubic 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 to four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing OCa4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing OCa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.668
_cell_length_b   3.703
_cell_length_c   6.283
_cell_angle_alpha   94.474
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   85.078
_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
  Ca  Ca0  1  0.762  0.250  0.750  1.0
  Ca  Ca1  1  0.238  0.750  0.250  1.0
  O  O2  1  0.268  0.210  0.999  1.0
  O  O3  1  0.268  0.290  0.501  1.0
  O  O4  1  0.732  0.790  0.001  1.0
  O  O5  1  0.732  0.710  0.499  1.0
[/CIF]
.
The crystal structure described by CaO2 is Fluorite-like structured and crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a body-centered cubic 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 to four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing OCa4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing OCa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.668
_cell_length_b   3.703
_cell_length_c   6.283
_cell_angle_alpha   94.474
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   85.078
_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
  Ca  Ca0  1  0.762  0.250  0.750  1.0
  Ca  Ca1  1  0.238  0.750  0.250  1.0
  O  O2  1  0.268  0.210  0.999  1.0
  O  O3  1  0.268  0.290  0.501  1.0
  O  O4  1  0.732  0.790  0.001  1.0
  O  O5  1  0.732  0.710  0.499  1.0
[/CIF]
.