The crystal structure described by Ba3B3Pb2O9Cl crystallizes in the orthorhombic C222_1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(4) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. Pb(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), and one Cl(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one B(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), one B(2), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ba(1), one Ba(2), one Ba(3), one B(1), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one B(2), and one Pb(1) atom. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_Ba3B3Pb2ClO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.999
_cell_length_b   8.999
_cell_length_c   8.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.032
_symmetry_Int_Tables_number   1
_cell_volume   618.248
_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  0.234  0.234  0.000  1.0
  Ba  Ba1  1  0.766  0.766  0.500  1.0
  Ba  Ba2  1  0.356  0.644  0.250  1.0
  Ba  Ba3  1  0.644  0.356  0.750  1.0
  Ba  Ba4  1  0.649  0.351  0.250  1.0
  Ba  Ba5  1  0.351  0.649  0.750  1.0
  B  B6  1  0.625  0.625  0.000  1.0
  B  B7  1  0.375  0.375  0.500  1.0
  B  B8  1  0.576  0.008  0.458  1.0
  B  B9  1  0.008  0.576  0.542  1.0
  B  B10  1  0.424  0.992  0.958  1.0
  B  B11  1  0.992  0.424  0.042  1.0
  Pb  Pb12  1  0.733  0.976  0.075  1.0
  Pb  Pb13  1  0.976  0.733  0.925  1.0
  Pb  Pb14  1  0.267  0.024  0.575  1.0
  Pb  Pb15  1  0.024  0.267  0.425  1.0
  Cl  Cl16  1  0.941  0.059  0.750  1.0
  Cl  Cl17  1  0.059  0.941  0.250  1.0
  O  O18  1  0.516  0.141  0.004  1.0
  O  O19  1  0.141  0.516  0.996  1.0
  O  O20  1  0.484  0.859  0.504  1.0
  O  O21  1  0.859  0.484  0.496  1.0
  O  O22  1  0.462  0.861  0.012  1.0
  O  O23  1  0.861  0.462  0.988  1.0
  O  O24  1  0.538  0.139  0.512  1.0
  O  O25  1  0.139  0.538  0.488  1.0
  O  O26  1  0.493  0.493  0.000  1.0
  O  O27  1  0.507  0.507  0.500  1.0
  O  O28  1  0.682  0.695  0.152  1.0
  O  O29  1  0.695  0.682  0.848  1.0
  O  O30  1  0.318  0.305  0.652  1.0
  O  O31  1  0.305  0.318  0.348  1.0
  O  O32  1  0.708  0.030  0.358  1.0
  O  O33  1  0.030  0.708  0.642  1.0
  O  O34  1  0.292  0.970  0.858  1.0
  O  O35  1  0.970  0.292  0.142  1.0
[/CIF]
.
The crystal structure described by Ba3B3Pb2O9Cl crystallizes in the orthorhombic C222_1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(4) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. Pb(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), and one Cl(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one B(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), one B(2), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ba(1), one Ba(2), one Ba(3), one B(1), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one B(2), and one Pb(1) atom. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_Ba3B3Pb2ClO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.999
_cell_length_b   8.999
_cell_length_c   8.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.032
_symmetry_Int_Tables_number   1
_cell_volume   618.248
_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  0.234  0.234  0.000  1.0
  Ba  Ba1  1  0.766  0.766  0.500  1.0
  Ba  Ba2  1  0.356  0.644  0.250  1.0
  Ba  Ba3  1  0.644  0.356  0.750  1.0
  Ba  Ba4  1  0.649  0.351  0.250  1.0
  Ba  Ba5  1  0.351  0.649  0.750  1.0
  B  B6  1  0.625  0.625  0.000  1.0
  B  B7  1  0.375  0.375  0.500  1.0
  B  B8  1  0.576  0.008  0.458  1.0
  B  B9  1  0.008  0.576  0.542  1.0
  B  B10  1  0.424  0.992  0.958  1.0
  B  B11  1  0.992  0.424  0.042  1.0
  Pb  Pb12  1  0.733  0.976  0.075  1.0
  Pb  Pb13  1  0.976  0.733  0.925  1.0
  Pb  Pb14  1  0.267  0.024  0.575  1.0
  Pb  Pb15  1  0.024  0.267  0.425  1.0
  Cl  Cl16  1  0.941  0.059  0.750  1.0
  Cl  Cl17  1  0.059  0.941  0.250  1.0
  O  O18  1  0.516  0.141  0.004  1.0
  O  O19  1  0.141  0.516  0.996  1.0
  O  O20  1  0.484  0.859  0.504  1.0
  O  O21  1  0.859  0.484  0.496  1.0
  O  O22  1  0.462  0.861  0.012  1.0
  O  O23  1  0.861  0.462  0.988  1.0
  O  O24  1  0.538  0.139  0.512  1.0
  O  O25  1  0.139  0.538  0.488  1.0
  O  O26  1  0.493  0.493  0.000  1.0
  O  O27  1  0.507  0.507  0.500  1.0
  O  O28  1  0.682  0.695  0.152  1.0
  O  O29  1  0.695  0.682  0.848  1.0
  O  O30  1  0.318  0.305  0.652  1.0
  O  O31  1  0.305  0.318  0.348  1.0
  O  O32  1  0.708  0.030  0.358  1.0
  O  O33  1  0.030  0.708  0.642  1.0
  O  O34  1  0.292  0.970  0.858  1.0
  O  O35  1  0.970  0.292  0.142  1.0
[/CIF]
.