The material described by Ba2Cd(BO2)6 crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Cd(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent B(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Cd(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Ba2Cd(BO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.258
_cell_length_b   7.258
_cell_length_c   7.258
_cell_angle_alpha   59.757
_cell_angle_beta   59.757
_cell_angle_gamma   59.757
_symmetry_Int_Tables_number   1
_cell_volume   268.844
_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  0.791  0.791  0.791  1.0
  Ba  Ba1  1  0.209  0.209  0.209  1.0
  Cd  Cd2  1  0.000  0.000  0.000  1.0
  B  B3  1  0.368  0.633  0.756  1.0
  B  B4  1  0.633  0.756  0.368  1.0
  B  B5  1  0.756  0.368  0.633  1.0
  B  B6  1  0.632  0.367  0.244  1.0
  B  B7  1  0.367  0.244  0.632  1.0
  B  B8  1  0.244  0.632  0.367  1.0
  O  O9  1  0.163  0.664  0.914  1.0
  O  O10  1  0.664  0.914  0.163  1.0
  O  O11  1  0.914  0.163  0.664  1.0
  O  O12  1  0.837  0.336  0.086  1.0
  O  O13  1  0.336  0.086  0.837  1.0
  O  O14  1  0.086  0.837  0.336  1.0
  O  O15  1  0.542  0.422  0.798  1.0
  O  O16  1  0.422  0.798  0.542  1.0
  O  O17  1  0.798  0.542  0.422  1.0
  O  O18  1  0.458  0.578  0.202  1.0
  O  O19  1  0.578  0.202  0.458  1.0
  O  O20  1  0.202  0.458  0.578  1.0
[/CIF]
.
The material described by Ba2Cd(BO2)6 crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Cd(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent B(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Cd(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Ba2Cd(BO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.258
_cell_length_b   7.258
_cell_length_c   7.258
_cell_angle_alpha   59.757
_cell_angle_beta   59.757
_cell_angle_gamma   59.757
_symmetry_Int_Tables_number   1
_cell_volume   268.844
_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  0.791  0.791  0.791  1.0
  Ba  Ba1  1  0.209  0.209  0.209  1.0
  Cd  Cd2  1  0.000  0.000  0.000  1.0
  B  B3  1  0.368  0.633  0.756  1.0
  B  B4  1  0.633  0.756  0.368  1.0
  B  B5  1  0.756  0.368  0.633  1.0
  B  B6  1  0.632  0.367  0.244  1.0
  B  B7  1  0.367  0.244  0.632  1.0
  B  B8  1  0.244  0.632  0.367  1.0
  O  O9  1  0.163  0.664  0.914  1.0
  O  O10  1  0.664  0.914  0.163  1.0
  O  O11  1  0.914  0.163  0.664  1.0
  O  O12  1  0.837  0.336  0.086  1.0
  O  O13  1  0.336  0.086  0.837  1.0
  O  O14  1  0.086  0.837  0.336  1.0
  O  O15  1  0.542  0.422  0.798  1.0
  O  O16  1  0.422  0.798  0.542  1.0
  O  O17  1  0.798  0.542  0.422  1.0
  O  O18  1  0.458  0.578  0.202  1.0
  O  O19  1  0.578  0.202  0.458  1.0
  O  O20  1  0.202  0.458  0.578  1.0
[/CIF]
.