The material structure described by Cd(CuO2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Cd(1) is bonded in a 8-coordinate 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 one Cu(1), one Cu(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing OCd2Cu2 tetrahedra. In the second O site, O(2) is bonded to one Cu(1), one Cu(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing OCd2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_Cd(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.665
_cell_length_b   6.158
_cell_length_c   6.158
_cell_angle_alpha   99.082
_cell_angle_beta   62.684
_cell_angle_gamma   62.684
_symmetry_Int_Tables_number   1
_cell_volume   149.997
_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
  Cd  Cd0  1  0.750  0.125  0.375  1.0
  Cd  Cd1  1  0.250  0.875  0.625  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.670  0.183  0.034  1.0
  O  O7  1  0.830  0.466  0.317  1.0
  O  O8  1  0.888  0.296  0.647  1.0
  O  O9  1  0.388  0.147  0.796  1.0
  O  O10  1  0.612  0.853  0.204  1.0
  O  O11  1  0.112  0.704  0.353  1.0
  O  O12  1  0.170  0.534  0.683  1.0
  O  O13  1  0.330  0.817  0.966  1.0
[/CIF]
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The material structure described by Cd(CuO2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Cd(1) is bonded in a 8-coordinate 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 one Cu(1), one Cu(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing OCd2Cu2 tetrahedra. In the second O site, O(2) is bonded to one Cu(1), one Cu(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing OCd2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_Cd(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.665
_cell_length_b   6.158
_cell_length_c   6.158
_cell_angle_alpha   99.082
_cell_angle_beta   62.684
_cell_angle_gamma   62.684
_symmetry_Int_Tables_number   1
_cell_volume   149.997
_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
  Cd  Cd0  1  0.750  0.125  0.375  1.0
  Cd  Cd1  1  0.250  0.875  0.625  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.670  0.183  0.034  1.0
  O  O7  1  0.830  0.466  0.317  1.0
  O  O8  1  0.888  0.296  0.647  1.0
  O  O9  1  0.388  0.147  0.796  1.0
  O  O10  1  0.612  0.853  0.204  1.0
  O  O11  1  0.112  0.704  0.353  1.0
  O  O12  1  0.170  0.534  0.683  1.0
  O  O13  1  0.330  0.817  0.966  1.0
[/CIF]
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