data_CdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdO2
_chemical_formula_sum   'Cd4 O8'
_cell_volume   157.88
_cell_formula_units_Z   4
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
  Cd  Cd0  1  0.0  0.7  0.7  1.0
  Cd  Cd1  1  0.7  0.7  0.0  1.0
  Cd  Cd2  1  0.7  0.0  0.7  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0
  O  O4  1  0.14  0.97  0.43  1.0
  O  O5  1  0.97  0.43  0.14  1.0
  O  O6  1  0.43  0.14  0.97  1.0
  O  O7  1  0.27  0.27  0.27  1.0
  O  O8  1  0.14  0.14  0.14  1.0
  O  O9  1  0.97  0.27  0.43  1.0
  O  O10  1  0.43  0.97  0.27  1.0
  O  O11  1  0.27  0.43  0.97  1.0

data_CdO2
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   CdO2
_chemical_formula_sum   'Cd12 O24'
_cell_volume   473.63
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Cd  Cd0  9  0.2  0.1  0.8  1.0
  Cd  Cd1  3  0.0  0.0  0.0  1.0
  O  O2  9  0.04  0.25  0.22  1.0
  O  O3  9  0.12  0.71  0.85  1.0
  O  O4  3  0.0  0.0  0.14  1.0
  O  O5  3  0.0  0.0  0.27  1.0

Cd Cd Cd Cd O O O O O O O O
Cd Cd Cd Cd O O O O O O O O 0 2 - + o 0 1 - o + 0 11 o o o 0 4 o o o 0 3 o + + 1 10 o o o 1 5 o o o 1 2 o + - 1 3 + + o 2 6 o o o 2 9 o o o 2 3 + o + 3 8 o o o 4 9 - + o 4 8 o + o 4 7 o + o 4 10 o o o 5 8 + o o 5 7 + o o 5 9 o o o 5 11 + o - 6 8 o o + 6 7 o o + 6 11 o o o 6 10 o - + 7 8 o o o 7 9 - o o 7 10 o - o 7 11 o o - 8 9 - o o 8 10 o - o 8 11 o o - 
CdO2 crystallizes in the trigonal R3 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to one Cd(2), two equivalent Cd(1), two equivalent O(1), and two equivalent O(4) atoms. The Cd(1)-Cd(2) bond length is 2.28 Å. Both Cd(1)-Cd(1) bond lengths are 2.28 Å. There is one shorter (2.18 Å) and one longer (2.76 Å) Cd(1)-O(1) bond length. There is one shorter (2.51 Å) and one longer (2.76 Å) Cd(1)-O(4) bond length. In the second Cd site, Cd(2) is bonded in a single-bond geometry to three Cd(1,1) and one O(3) atom. Both Cd(2)-Cd(1) bond lengths are 2.28 Å. The Cd(2)-O(3) bond length is 1.28 Å. In the third Cd site, Cd(1) is bonded in a 7-coordinate geometry to one Cd(2); two Cd(1,1); two equivalent O(1); and two equivalent O(4) atoms. Both Cd(1)-Cd(1,1) bond lengths are 2.28 Å. There is one shorter (2.18 Å) and one longer (2.76 Å) Cd(1)-O(1) bond length. There is one shorter (2.51 Å) and one longer (2.76 Å) Cd(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cd(1) and two equivalent O(4) atoms. Both O(1)-O(4) bond lengths are 1.84 Å. In the second O site, O(2) is bonded in a single-bond geometry to one O(3) and three equivalent O(4) atoms. The O(2)-O(3) bond length is 1.23 Å. All O(2)-O(4) bond lengths are 1.84 Å. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cd(2) and one O(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Cd(1), one O(2), and two equivalent O(1) atoms.