The structure described by PbBa2(B3O6)2 crystallizes in the trigonal R-3c space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. Pb(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one B(1), and one Pb(1) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2B6PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.433
_cell_length_b   13.433
_cell_length_c   13.433
_cell_angle_alpha   31.450
_cell_angle_beta   31.450
_cell_angle_gamma   31.450
_symmetry_Int_Tables_number   1
_cell_volume   585.847
_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
  Ba  Ba0  1  0.149  0.149  0.149  1.0
  Ba  Ba1  1  0.649  0.649  0.649  1.0
  Ba  Ba2  1  0.851  0.851  0.851  1.0
  Ba  Ba3  1  0.351  0.351  0.351  1.0
  B  B4  1  0.499  0.246  0.634  1.0
  B  B5  1  0.634  0.499  0.246  1.0
  B  B6  1  0.246  0.634  0.499  1.0
  B  B7  1  0.134  0.746  0.999  1.0
  B  B8  1  0.999  0.134  0.746  1.0
  B  B9  1  0.746  0.999  0.134  1.0
  B  B10  1  0.501  0.754  0.366  1.0
  B  B11  1  0.366  0.501  0.754  1.0
  B  B12  1  0.754  0.366  0.501  1.0
  B  B13  1  0.866  0.254  0.001  1.0
  B  B14  1  0.001  0.866  0.254  1.0
  B  B15  1  0.254  0.001  0.866  1.0
  Pb  Pb16  1  0.250  0.250  0.250  1.0
  Pb  Pb17  1  0.750  0.750  0.750  1.0
  O  O18  1  0.289  0.421  0.665  1.0
  O  O19  1  0.665  0.289  0.421  1.0
  O  O20  1  0.421  0.665  0.289  1.0
  O  O21  1  0.165  0.921  0.789  1.0
  O  O22  1  0.789  0.165  0.921  1.0
  O  O23  1  0.921  0.789  0.165  1.0
  O  O24  1  0.711  0.579  0.335  1.0
  O  O25  1  0.335  0.711  0.579  1.0
  O  O26  1  0.579  0.335  0.711  1.0
  O  O27  1  0.835  0.079  0.211  1.0
  O  O28  1  0.211  0.835  0.079  1.0
  O  O29  1  0.079  0.211  0.835  1.0
  O  O30  1  0.053  0.803  0.531  1.0
  O  O31  1  0.531  0.053  0.803  1.0
  O  O32  1  0.803  0.531  0.053  1.0
  O  O33  1  0.031  0.303  0.553  1.0
  O  O34  1  0.553  0.031  0.303  1.0
  O  O35  1  0.303  0.553  0.031  1.0
  O  O36  1  0.947  0.197  0.469  1.0
  O  O37  1  0.469  0.947  0.197  1.0
  O  O38  1  0.197  0.469  0.947  1.0
  O  O39  1  0.969  0.697  0.447  1.0
  O  O40  1  0.447  0.969  0.697  1.0
  O  O41  1  0.697  0.447  0.969  1.0
[/CIF]
.
The structure described by PbBa2(B3O6)2 crystallizes in the trigonal R-3c space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. Pb(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one B(1), and one Pb(1) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2B6PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.433
_cell_length_b   13.433
_cell_length_c   13.433
_cell_angle_alpha   31.450
_cell_angle_beta   31.450
_cell_angle_gamma   31.450
_symmetry_Int_Tables_number   1
_cell_volume   585.847
_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
  Ba  Ba0  1  0.149  0.149  0.149  1.0
  Ba  Ba1  1  0.649  0.649  0.649  1.0
  Ba  Ba2  1  0.851  0.851  0.851  1.0
  Ba  Ba3  1  0.351  0.351  0.351  1.0
  B  B4  1  0.499  0.246  0.634  1.0
  B  B5  1  0.634  0.499  0.246  1.0
  B  B6  1  0.246  0.634  0.499  1.0
  B  B7  1  0.134  0.746  0.999  1.0
  B  B8  1  0.999  0.134  0.746  1.0
  B  B9  1  0.746  0.999  0.134  1.0
  B  B10  1  0.501  0.754  0.366  1.0
  B  B11  1  0.366  0.501  0.754  1.0
  B  B12  1  0.754  0.366  0.501  1.0
  B  B13  1  0.866  0.254  0.001  1.0
  B  B14  1  0.001  0.866  0.254  1.0
  B  B15  1  0.254  0.001  0.866  1.0
  Pb  Pb16  1  0.250  0.250  0.250  1.0
  Pb  Pb17  1  0.750  0.750  0.750  1.0
  O  O18  1  0.289  0.421  0.665  1.0
  O  O19  1  0.665  0.289  0.421  1.0
  O  O20  1  0.421  0.665  0.289  1.0
  O  O21  1  0.165  0.921  0.789  1.0
  O  O22  1  0.789  0.165  0.921  1.0
  O  O23  1  0.921  0.789  0.165  1.0
  O  O24  1  0.711  0.579  0.335  1.0
  O  O25  1  0.335  0.711  0.579  1.0
  O  O26  1  0.579  0.335  0.711  1.0
  O  O27  1  0.835  0.079  0.211  1.0
  O  O28  1  0.211  0.835  0.079  1.0
  O  O29  1  0.079  0.211  0.835  1.0
  O  O30  1  0.053  0.803  0.531  1.0
  O  O31  1  0.531  0.053  0.803  1.0
  O  O32  1  0.803  0.531  0.053  1.0
  O  O33  1  0.031  0.303  0.553  1.0
  O  O34  1  0.553  0.031  0.303  1.0
  O  O35  1  0.303  0.553  0.031  1.0
  O  O36  1  0.947  0.197  0.469  1.0
  O  O37  1  0.469  0.947  0.197  1.0
  O  O38  1  0.197  0.469  0.947  1.0
  O  O39  1  0.969  0.697  0.447  1.0
  O  O40  1  0.447  0.969  0.697  1.0
  O  O41  1  0.697  0.447  0.969  1.0
[/CIF]
.