The material described by Cu2CdB2O6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(4) atoms. Cd(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing CdO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one B(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cd(1), and one B(2) atom. In the third O site, O(2) is bonded to one Cu(1), one Cu(2), and two equivalent Cd(1) atoms to form corner-sharing OCd2Cu2 tetrahedra. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cd(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Cu(2), one Cd(1), and one B(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdCu2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.247
_cell_length_b   3.565
_cell_length_c   9.519
_cell_angle_alpha   84.351
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   514.943
_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  0.133  0.788  0.386  1.0
  Cd  Cd1  1  0.633  0.212  0.114  1.0
  Cd  Cd2  1  0.367  0.788  0.886  1.0
  Cd  Cd3  1  0.867  0.212  0.614  1.0
  Cu  Cu4  1  0.041  0.313  0.138  1.0
  Cu  Cu5  1  0.459  0.313  0.638  1.0
  Cu  Cu6  1  0.541  0.687  0.362  1.0
  Cu  Cu7  1  0.959  0.687  0.862  1.0
  Cu  Cu8  1  0.754  0.680  0.364  1.0
  Cu  Cu9  1  0.254  0.320  0.136  1.0
  Cu  Cu10  1  0.746  0.680  0.864  1.0
  Cu  Cu11  1  0.246  0.320  0.636  1.0
  B  B12  1  0.349  0.788  0.420  1.0
  B  B13  1  0.088  0.108  0.685  1.0
  B  B14  1  0.151  0.788  0.920  1.0
  B  B15  1  0.651  0.212  0.580  1.0
  B  B16  1  0.412  0.108  0.185  1.0
  B  B17  1  0.912  0.892  0.315  1.0
  B  B18  1  0.849  0.212  0.080  1.0
  B  B19  1  0.588  0.892  0.815  1.0
  O  O20  1  0.124  0.282  0.563  1.0
  O  O21  1  0.851  0.681  0.763  1.0
  O  O22  1  0.376  0.282  0.063  1.0
  O  O23  1  0.351  0.319  0.737  1.0
  O  O24  1  0.497  0.040  0.210  1.0
  O  O25  1  0.228  0.733  0.990  1.0
  O  O26  1  0.728  0.267  0.510  1.0
  O  O27  1  0.997  0.960  0.290  1.0
  O  O28  1  0.876  0.718  0.437  1.0
  O  O29  1  0.649  0.681  0.263  1.0
  O  O30  1  0.845  1.000  0.214  1.0
  O  O31  1  0.149  0.319  0.237  1.0
  O  O32  1  0.929  0.346  0.032  1.0
  O  O33  1  0.003  0.040  0.710  1.0
  O  O34  1  0.772  0.267  0.010  1.0
  O  O35  1  0.655  1.000  0.714  1.0
  O  O36  1  0.345  0.000  0.286  1.0
  O  O37  1  0.624  0.718  0.937  1.0
  O  O38  1  0.571  0.346  0.532  1.0
  O  O39  1  0.272  0.733  0.490  1.0
  O  O40  1  0.429  0.654  0.468  1.0
  O  O41  1  0.071  0.654  0.968  1.0
  O  O42  1  0.155  0.000  0.786  1.0
  O  O43  1  0.503  0.960  0.790  1.0
[/CIF]
.
The material described by Cu2CdB2O6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(4) atoms. Cd(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing CdO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one B(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cd(1), and one B(2) atom. In the third O site, O(2) is bonded to one Cu(1), one Cu(2), and two equivalent Cd(1) atoms to form corner-sharing OCd2Cu2 tetrahedra. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cd(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Cu(2), one Cd(1), and one B(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdCu2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.247
_cell_length_b   3.565
_cell_length_c   9.519
_cell_angle_alpha   84.351
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   514.943
_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  0.133  0.788  0.386  1.0
  Cd  Cd1  1  0.633  0.212  0.114  1.0
  Cd  Cd2  1  0.367  0.788  0.886  1.0
  Cd  Cd3  1  0.867  0.212  0.614  1.0
  Cu  Cu4  1  0.041  0.313  0.138  1.0
  Cu  Cu5  1  0.459  0.313  0.638  1.0
  Cu  Cu6  1  0.541  0.687  0.362  1.0
  Cu  Cu7  1  0.959  0.687  0.862  1.0
  Cu  Cu8  1  0.754  0.680  0.364  1.0
  Cu  Cu9  1  0.254  0.320  0.136  1.0
  Cu  Cu10  1  0.746  0.680  0.864  1.0
  Cu  Cu11  1  0.246  0.320  0.636  1.0
  B  B12  1  0.349  0.788  0.420  1.0
  B  B13  1  0.088  0.108  0.685  1.0
  B  B14  1  0.151  0.788  0.920  1.0
  B  B15  1  0.651  0.212  0.580  1.0
  B  B16  1  0.412  0.108  0.185  1.0
  B  B17  1  0.912  0.892  0.315  1.0
  B  B18  1  0.849  0.212  0.080  1.0
  B  B19  1  0.588  0.892  0.815  1.0
  O  O20  1  0.124  0.282  0.563  1.0
  O  O21  1  0.851  0.681  0.763  1.0
  O  O22  1  0.376  0.282  0.063  1.0
  O  O23  1  0.351  0.319  0.737  1.0
  O  O24  1  0.497  0.040  0.210  1.0
  O  O25  1  0.228  0.733  0.990  1.0
  O  O26  1  0.728  0.267  0.510  1.0
  O  O27  1  0.997  0.960  0.290  1.0
  O  O28  1  0.876  0.718  0.437  1.0
  O  O29  1  0.649  0.681  0.263  1.0
  O  O30  1  0.845  1.000  0.214  1.0
  O  O31  1  0.149  0.319  0.237  1.0
  O  O32  1  0.929  0.346  0.032  1.0
  O  O33  1  0.003  0.040  0.710  1.0
  O  O34  1  0.772  0.267  0.010  1.0
  O  O35  1  0.655  1.000  0.714  1.0
  O  O36  1  0.345  0.000  0.286  1.0
  O  O37  1  0.624  0.718  0.937  1.0
  O  O38  1  0.571  0.346  0.532  1.0
  O  O39  1  0.272  0.733  0.490  1.0
  O  O40  1  0.429  0.654  0.468  1.0
  O  O41  1  0.071  0.654  0.968  1.0
  O  O42  1  0.155  0.000  0.786  1.0
  O  O43  1  0.503  0.960  0.790  1.0
[/CIF]
.