data_Ba2Cd(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   6.36
_cell_angle_alpha   114.9
_cell_angle_beta   114.9
_cell_angle_gamma   58.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cd(BO3)2
_chemical_formula_sum   'Ba2 Cd1 B2 O6'
_cell_volume   144.3
_cell_formula_units_Z   1
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
  Ba  Ba2  1  0.96  0.0  0.83  1.0
  Ba  Ba3  1  0.61  0.0  0.75  1.0
  Cd  Cd4  1  0.0  0.0  0.0  1.0
  B  B0  1  0.11  0.0  0.19  1.0
  B  B1  1  0.46  0.0  0.39  1.0
  O  O5  1  0.44  0.0  0.56  1.0
  O  O6  1  0.14  0.0  0.01  1.0
  O  O7  1  0.42  0.19  0.01  1.0
  O  O8  1  0.16  0.19  0.56  1.0
  O  O9  1  0.16  0.81  0.56  1.0
  O  O10  1  0.42  0.81  0.01  1.0

data_Ba2Cd(BO3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.37
_cell_length_b   5.52
_cell_length_c   6.36
_cell_angle_alpha   114.9
_cell_angle_beta   90.0
_cell_angle_gamma   119.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cd(BO3)2
_chemical_formula_sum   'Ba2 Cd1 B2 O6'
_cell_volume   144.3
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.0  0.04  0.17  1.0
  Ba  Ba1  1  0.0  0.39  0.25  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.0  0.54  0.61  1.0
  B  B4  1  0.0  0.89  0.81  1.0
  O  O5  1  0.0  0.56  0.44  1.0
  O  O6  1  0.0  0.86  0.99  1.0
  O  O7  1  0.19  0.04  0.44  1.0
  O  O8  1  0.19  0.77  0.99  1.0
  O  O9  1  0.81  0.39  0.99  1.0
  O  O10  1  0.81  0.65  0.44  1.0

Ba Ba Cd B B O O O O O O
Ba2Cd(BO3)2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2Cd(BO3)2 cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one Cd(1), one O(2), and one O(5) atom. The Ba(1)-Cd(1) bond length is 1.03 Å. The Ba(1)-O(2) bond length is 1.17 Å. The Ba(1)-O(5) bond length is 1.98 Å. In the second Ba site, Ba(2) is bonded in a distorted water-like geometry to one O(1) and one O(3) atom. The Ba(2)-O(1) bond length is 1.17 Å. The Ba(2)-O(3) bond length is 1.98 Å. Cd(1) is bonded in a distorted single-bond geometry to one Ba(1), one B(1), and one O(2) atom. The Cd(1)-B(1) bond length is 1.10 Å. The Cd(1)-O(2) bond length is 0.72 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 2-coordinate geometry to one Cd(1), one O(2), and one O(4) atom. The B(1)-O(2) bond length is 1.19 Å. The B(1)-O(4) bond length is 2.12 Å. In the second B site, B(2) is bonded in a single-bond geometry to one O(1) and one O(6) atom. The B(2)-O(1) bond length is 1.19 Å. The B(2)-O(6) bond length is 2.12 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one B(2), and one O(4) atom. The O(1)-O(4) bond length is 1.35 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Cd(1), one B(1), and one O(6) atom. The O(2)-O(6) bond length is 1.35 Å. In the third O site, O(3) is bonded in a single-bond geometry to one Ba(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one B(1) and one O(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one B(2) and one O(2) atom.