The crystal structure described by Pb3I2(O3Cl2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent Cl(2) atoms. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Pb(1), one Pb(2), and one I(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Pb(2) and one I(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one I(1) atom. I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to two equivalent Pb(2) atoms. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Pb(1) and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_Pb3I2(Cl2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.720
_cell_length_b   8.720
_cell_length_c   12.196
_cell_angle_alpha   64.841
_cell_angle_beta   64.841
_cell_angle_gamma   51.239
_symmetry_Int_Tables_number   1
_cell_volume   637.644
_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
  Pb  Pb0  1  0.168  0.832  0.750  1.0
  Pb  Pb1  1  0.832  0.168  0.250  1.0
  Pb  Pb2  1  0.056  0.343  0.825  1.0
  Pb  Pb3  1  0.657  0.944  0.675  1.0
  Pb  Pb4  1  0.944  0.657  0.175  1.0
  Pb  Pb5  1  0.343  0.056  0.325  1.0
  I  I6  1  0.665  0.233  0.973  1.0
  I  I7  1  0.767  0.335  0.527  1.0
  I  I8  1  0.335  0.767  0.027  1.0
  I  I9  1  0.233  0.665  0.473  1.0
  Cl  Cl10  1  0.674  0.575  0.729  1.0
  Cl  Cl11  1  0.425  0.326  0.771  1.0
  Cl  Cl12  1  0.326  0.425  0.271  1.0
  Cl  Cl13  1  0.575  0.674  0.229  1.0
  Cl  Cl14  1  0.258  0.150  0.610  1.0
  Cl  Cl15  1  0.850  0.742  0.890  1.0
  Cl  Cl16  1  0.742  0.850  0.390  1.0
  Cl  Cl17  1  0.150  0.258  0.110  1.0
  O  O18  1  0.919  0.092  0.879  1.0
  O  O19  1  0.908  0.081  0.621  1.0
  O  O20  1  0.081  0.908  0.121  1.0
  O  O21  1  0.092  0.919  0.379  1.0
  O  O22  1  0.333  0.962  0.884  1.0
  O  O23  1  0.038  0.667  0.616  1.0
  O  O24  1  0.667  0.038  0.116  1.0
  O  O25  1  0.962  0.333  0.384  1.0
  O  O26  1  0.277  0.640  0.976  1.0
  O  O27  1  0.360  0.723  0.524  1.0
  O  O28  1  0.723  0.360  0.024  1.0
  O  O29  1  0.640  0.277  0.476  1.0
[/CIF]
.
The crystal structure described by Pb3I2(O3Cl2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent Cl(2) atoms. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Pb(1), one Pb(2), and one I(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Pb(2) and one I(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one I(1) atom. I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to two equivalent Pb(2) atoms. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Pb(1) and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_Pb3I2(Cl2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.720
_cell_length_b   8.720
_cell_length_c   12.196
_cell_angle_alpha   64.841
_cell_angle_beta   64.841
_cell_angle_gamma   51.239
_symmetry_Int_Tables_number   1
_cell_volume   637.644
_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
  Pb  Pb0  1  0.168  0.832  0.750  1.0
  Pb  Pb1  1  0.832  0.168  0.250  1.0
  Pb  Pb2  1  0.056  0.343  0.825  1.0
  Pb  Pb3  1  0.657  0.944  0.675  1.0
  Pb  Pb4  1  0.944  0.657  0.175  1.0
  Pb  Pb5  1  0.343  0.056  0.325  1.0
  I  I6  1  0.665  0.233  0.973  1.0
  I  I7  1  0.767  0.335  0.527  1.0
  I  I8  1  0.335  0.767  0.027  1.0
  I  I9  1  0.233  0.665  0.473  1.0
  Cl  Cl10  1  0.674  0.575  0.729  1.0
  Cl  Cl11  1  0.425  0.326  0.771  1.0
  Cl  Cl12  1  0.326  0.425  0.271  1.0
  Cl  Cl13  1  0.575  0.674  0.229  1.0
  Cl  Cl14  1  0.258  0.150  0.610  1.0
  Cl  Cl15  1  0.850  0.742  0.890  1.0
  Cl  Cl16  1  0.742  0.850  0.390  1.0
  Cl  Cl17  1  0.150  0.258  0.110  1.0
  O  O18  1  0.919  0.092  0.879  1.0
  O  O19  1  0.908  0.081  0.621  1.0
  O  O20  1  0.081  0.908  0.121  1.0
  O  O21  1  0.092  0.919  0.379  1.0
  O  O22  1  0.333  0.962  0.884  1.0
  O  O23  1  0.038  0.667  0.616  1.0
  O  O24  1  0.667  0.038  0.116  1.0
  O  O25  1  0.962  0.333  0.384  1.0
  O  O26  1  0.277  0.640  0.976  1.0
  O  O27  1  0.360  0.723  0.524  1.0
  O  O28  1  0.723  0.360  0.024  1.0
  O  O29  1  0.640  0.277  0.476  1.0
[/CIF]
.