The material described by CdCu(SeO3)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(4) atoms to form distorted edge-sharing CuO5 trigonal bipyramids. Cd(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(6) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Cd(1), and one Se(2) atom. In the second O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Cd(1) and one Se(2) atom. In the third O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cd(1), and one Se(1) atom. In the fourth O site, O(2) is bonded in a water-like geometry to two equivalent Cd(1) and one Se(1) atom. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Cd(1), and one Se(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Se(2) atom. is represented by the CIF card [CIF]
data_CdCu(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.547
_cell_length_b   7.360
_cell_length_c   7.625
_cell_angle_alpha   85.600
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   590.143
_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  0.950  0.514  0.261  1.0
  Cd  Cd1  1  0.450  0.986  0.739  1.0
  Cd  Cd2  1  0.050  0.486  0.739  1.0
  Cd  Cd3  1  0.550  0.014  0.261  1.0
  Cu  Cu4  1  0.918  0.977  0.316  1.0
  Cu  Cu5  1  0.418  0.523  0.684  1.0
  Cu  Cu6  1  0.082  0.023  0.684  1.0
  Cu  Cu7  1  0.582  0.477  0.316  1.0
  Se  Se8  1  0.108  0.197  0.054  1.0
  Se  Se9  1  0.608  0.303  0.946  1.0
  Se  Se10  1  0.892  0.803  0.946  1.0
  Se  Se11  1  0.392  0.697  0.054  1.0
  Se  Se12  1  0.779  0.254  0.569  1.0
  Se  Se13  1  0.279  0.246  0.431  1.0
  Se  Se14  1  0.221  0.746  0.431  1.0
  Se  Se15  1  0.721  0.754  0.569  1.0
  O  O16  1  0.014  0.169  0.867  1.0
  O  O17  1  0.514  0.331  0.133  1.0
  O  O18  1  0.986  0.831  0.133  1.0
  O  O19  1  0.486  0.669  0.867  1.0
  O  O20  1  0.138  0.425  0.013  1.0
  O  O21  1  0.638  0.075  0.987  1.0
  O  O22  1  0.862  0.575  0.987  1.0
  O  O23  1  0.362  0.925  0.013  1.0
  O  O24  1  0.989  0.212  0.213  1.0
  O  O25  1  0.489  0.288  0.787  1.0
  O  O26  1  0.011  0.788  0.787  1.0
  O  O27  1  0.511  0.712  0.213  1.0
  O  O28  1  0.880  0.071  0.543  1.0
  O  O29  1  0.380  0.429  0.457  1.0
  O  O30  1  0.120  0.929  0.457  1.0
  O  O31  1  0.620  0.571  0.543  1.0
  O  O32  1  0.710  0.279  0.360  1.0
  O  O33  1  0.210  0.221  0.640  1.0
  O  O34  1  0.290  0.721  0.640  1.0
  O  O35  1  0.790  0.779  0.360  1.0
  O  O36  1  0.887  0.433  0.548  1.0
  O  O37  1  0.387  0.067  0.452  1.0
  O  O38  1  0.113  0.567  0.452  1.0
  O  O39  1  0.613  0.933  0.548  1.0
[/CIF]
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The material described by CdCu(SeO3)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(4) atoms to form distorted edge-sharing CuO5 trigonal bipyramids. Cd(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(6) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Cd(1), and one Se(2) atom. In the second O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Cd(1) and one Se(2) atom. In the third O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cd(1), and one Se(1) atom. In the fourth O site, O(2) is bonded in a water-like geometry to two equivalent Cd(1) and one Se(1) atom. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Cd(1), and one Se(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Se(2) atom. is represented by the CIF card [CIF]
data_CdCu(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.547
_cell_length_b   7.360
_cell_length_c   7.625
_cell_angle_alpha   85.600
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   590.143
_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  0.950  0.514  0.261  1.0
  Cd  Cd1  1  0.450  0.986  0.739  1.0
  Cd  Cd2  1  0.050  0.486  0.739  1.0
  Cd  Cd3  1  0.550  0.014  0.261  1.0
  Cu  Cu4  1  0.918  0.977  0.316  1.0
  Cu  Cu5  1  0.418  0.523  0.684  1.0
  Cu  Cu6  1  0.082  0.023  0.684  1.0
  Cu  Cu7  1  0.582  0.477  0.316  1.0
  Se  Se8  1  0.108  0.197  0.054  1.0
  Se  Se9  1  0.608  0.303  0.946  1.0
  Se  Se10  1  0.892  0.803  0.946  1.0
  Se  Se11  1  0.392  0.697  0.054  1.0
  Se  Se12  1  0.779  0.254  0.569  1.0
  Se  Se13  1  0.279  0.246  0.431  1.0
  Se  Se14  1  0.221  0.746  0.431  1.0
  Se  Se15  1  0.721  0.754  0.569  1.0
  O  O16  1  0.014  0.169  0.867  1.0
  O  O17  1  0.514  0.331  0.133  1.0
  O  O18  1  0.986  0.831  0.133  1.0
  O  O19  1  0.486  0.669  0.867  1.0
  O  O20  1  0.138  0.425  0.013  1.0
  O  O21  1  0.638  0.075  0.987  1.0
  O  O22  1  0.862  0.575  0.987  1.0
  O  O23  1  0.362  0.925  0.013  1.0
  O  O24  1  0.989  0.212  0.213  1.0
  O  O25  1  0.489  0.288  0.787  1.0
  O  O26  1  0.011  0.788  0.787  1.0
  O  O27  1  0.511  0.712  0.213  1.0
  O  O28  1  0.880  0.071  0.543  1.0
  O  O29  1  0.380  0.429  0.457  1.0
  O  O30  1  0.120  0.929  0.457  1.0
  O  O31  1  0.620  0.571  0.543  1.0
  O  O32  1  0.710  0.279  0.360  1.0
  O  O33  1  0.210  0.221  0.640  1.0
  O  O34  1  0.290  0.721  0.640  1.0
  O  O35  1  0.790  0.779  0.360  1.0
  O  O36  1  0.887  0.433  0.548  1.0
  O  O37  1  0.387  0.067  0.452  1.0
  O  O38  1  0.113  0.567  0.452  1.0
  O  O39  1  0.613  0.933  0.548  1.0
[/CIF]
.