The compound described by Cd3(BO3)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form CdO6 octahedra that share corners with four equivalent Cd(3)O6 octahedra, corners with two equivalent Cd(2)O5 trigonal bipyramids,  an edgeedge with one Cd(3)O6 octahedra, and edges with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the second Cd site, Cd(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(3) atoms to form distorted CdO5 trigonal bipyramids that share corners with two equivalent Cd(1)O6 octahedra, corners with three equivalent Cd(3)O6 octahedra, and edges with two equivalent Cd(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-76°. In the third Cd site, Cd(3) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CdO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with three equivalent Cd(2)O5 trigonal bipyramids,  an edgeedge with one Cd(1)O6 octahedra, and  an edgeedge with one Cd(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cd(3), two equivalent Cd(1), and one B(1) atom. In the second O site, O(2) is bonded to one Cd(3), two equivalent Cd(2), and one B(1) atom to form distorted edge-sharing OCd3B tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cd(1), two equivalent Cd(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cd(1), two equivalent Cd(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cd(2), one Cd(3), and one B(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Cd(3), two equivalent Cd(1), and one B(2) atom. is represented by the CIF file [CIF]
data_Cd3(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   6.184
_cell_length_c   7.470
_cell_angle_alpha   76.473
_cell_angle_beta   80.719
_cell_angle_gamma   82.397
_symmetry_Int_Tables_number   1
_cell_volume   271.016
_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  0.271  0.935  0.441  1.0
  Cd  Cd1  1  0.729  0.065  0.559  1.0
  Cd  Cd2  1  0.625  0.239  0.998  1.0
  Cd  Cd3  1  0.375  0.761  0.002  1.0
  Cd  Cd4  1  0.868  0.556  0.294  1.0
  Cd  Cd5  1  0.132  0.444  0.706  1.0
  B  B6  1  0.620  0.565  0.639  1.0
  B  B7  1  0.380  0.435  0.361  1.0
  B  B8  1  0.088  0.167  0.127  1.0
  B  B9  1  0.912  0.833  0.873  1.0
  O  O10  1  0.608  0.756  0.497  1.0
  O  O11  1  0.392  0.244  0.503  1.0
  O  O12  1  0.463  0.530  0.794  1.0
  O  O13  1  0.537  0.470  0.206  1.0
  O  O14  1  0.308  0.073  0.118  1.0
  O  O15  1  0.692  0.927  0.882  1.0
  O  O16  1  0.794  0.403  0.615  1.0
  O  O17  1  0.206  0.597  0.385  1.0
  O  O18  1  0.989  0.256  0.972  1.0
  O  O19  1  0.011  0.744  0.028  1.0
  O  O20  1  0.977  0.173  0.303  1.0
  O  O21  1  0.023  0.827  0.697  1.0
[/CIF]
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The compound described by Cd3(BO3)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form CdO6 octahedra that share corners with four equivalent Cd(3)O6 octahedra, corners with two equivalent Cd(2)O5 trigonal bipyramids,  an edgeedge with one Cd(3)O6 octahedra, and edges with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the second Cd site, Cd(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(3) atoms to form distorted CdO5 trigonal bipyramids that share corners with two equivalent Cd(1)O6 octahedra, corners with three equivalent Cd(3)O6 octahedra, and edges with two equivalent Cd(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-76°. In the third Cd site, Cd(3) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CdO6 octahedra that share corners with four equivalent Cd(1)O6 octahedra, corners with three equivalent Cd(2)O5 trigonal bipyramids,  an edgeedge with one Cd(1)O6 octahedra, and  an edgeedge with one Cd(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cd(3), two equivalent Cd(1), and one B(1) atom. In the second O site, O(2) is bonded to one Cd(3), two equivalent Cd(2), and one B(1) atom to form distorted edge-sharing OCd3B tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cd(1), two equivalent Cd(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cd(1), two equivalent Cd(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cd(2), one Cd(3), and one B(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Cd(3), two equivalent Cd(1), and one B(2) atom. is represented by the CIF file [CIF]
data_Cd3(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   6.184
_cell_length_c   7.470
_cell_angle_alpha   76.473
_cell_angle_beta   80.719
_cell_angle_gamma   82.397
_symmetry_Int_Tables_number   1
_cell_volume   271.016
_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  0.271  0.935  0.441  1.0
  Cd  Cd1  1  0.729  0.065  0.559  1.0
  Cd  Cd2  1  0.625  0.239  0.998  1.0
  Cd  Cd3  1  0.375  0.761  0.002  1.0
  Cd  Cd4  1  0.868  0.556  0.294  1.0
  Cd  Cd5  1  0.132  0.444  0.706  1.0
  B  B6  1  0.620  0.565  0.639  1.0
  B  B7  1  0.380  0.435  0.361  1.0
  B  B8  1  0.088  0.167  0.127  1.0
  B  B9  1  0.912  0.833  0.873  1.0
  O  O10  1  0.608  0.756  0.497  1.0
  O  O11  1  0.392  0.244  0.503  1.0
  O  O12  1  0.463  0.530  0.794  1.0
  O  O13  1  0.537  0.470  0.206  1.0
  O  O14  1  0.308  0.073  0.118  1.0
  O  O15  1  0.692  0.927  0.882  1.0
  O  O16  1  0.794  0.403  0.615  1.0
  O  O17  1  0.206  0.597  0.385  1.0
  O  O18  1  0.989  0.256  0.972  1.0
  O  O19  1  0.011  0.744  0.028  1.0
  O  O20  1  0.977  0.173  0.303  1.0
  O  O21  1  0.023  0.827  0.697  1.0
[/CIF]
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