The material described by Pb3I2O2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted L-shaped geometry to two equivalent O(1), one I(1), and three equivalent I(2) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the third Pb site, Pb(3) is bonded in a distorted L-shaped geometry to two equivalent O(1) and one I(1) atom. O(1) is bonded to one Pb(1), one Pb(3), and two equivalent Pb(2) atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Pb(1) and one Pb(3) atom. In the second I site, I(2) is bonded in a distorted trigonal planar geometry to three equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_Pb3(IO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.982
_cell_length_b   7.676
_cell_length_c   18.122
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   832.164
_cell_formula_units_Z   4
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  0.750  0.023  0.160  1.0
  Pb  Pb1  1  0.750  0.477  0.660  1.0
  Pb  Pb2  1  0.750  0.648  0.473  1.0
  Pb  Pb3  1  0.250  0.148  0.027  1.0
  Pb  Pb4  1  0.250  0.352  0.527  1.0
  Pb  Pb5  1  0.750  0.215  0.395  1.0
  Pb  Pb6  1  0.750  0.285  0.895  1.0
  Pb  Pb7  1  0.250  0.715  0.105  1.0
  Pb  Pb8  1  0.250  0.523  0.340  1.0
  Pb  Pb9  1  0.250  0.785  0.605  1.0
  Pb  Pb10  1  0.750  0.852  0.973  1.0
  Pb  Pb11  1  0.250  0.977  0.840  1.0
  I  I12  1  0.750  0.403  0.065  1.0
  I  I13  1  0.250  0.597  0.935  1.0
  I  I14  1  0.250  0.325  0.741  1.0
  I  I15  1  0.750  0.097  0.565  1.0
  I  I16  1  0.250  0.175  0.241  1.0
  I  I17  1  0.750  0.675  0.259  1.0
  I  I18  1  0.250  0.903  0.435  1.0
  I  I19  1  0.750  0.825  0.759  1.0
  O  O20  1  0.000  0.919  0.074  1.0
  O  O21  1  0.500  0.081  0.926  1.0
  O  O22  1  0.500  0.419  0.426  1.0
  O  O23  1  0.500  0.581  0.574  1.0
  O  O24  1  0.000  0.581  0.574  1.0
  O  O25  1  0.500  0.919  0.074  1.0
  O  O26  1  1.000  0.081  0.926  1.0
  O  O27  1  1.000  0.419  0.426  1.0
[/CIF]
.
The material described by Pb3I2O2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted L-shaped geometry to two equivalent O(1), one I(1), and three equivalent I(2) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the third Pb site, Pb(3) is bonded in a distorted L-shaped geometry to two equivalent O(1) and one I(1) atom. O(1) is bonded to one Pb(1), one Pb(3), and two equivalent Pb(2) atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Pb(1) and one Pb(3) atom. In the second I site, I(2) is bonded in a distorted trigonal planar geometry to three equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_Pb3(IO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.982
_cell_length_b   7.676
_cell_length_c   18.122
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   832.164
_cell_formula_units_Z   4
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  0.750  0.023  0.160  1.0
  Pb  Pb1  1  0.750  0.477  0.660  1.0
  Pb  Pb2  1  0.750  0.648  0.473  1.0
  Pb  Pb3  1  0.250  0.148  0.027  1.0
  Pb  Pb4  1  0.250  0.352  0.527  1.0
  Pb  Pb5  1  0.750  0.215  0.395  1.0
  Pb  Pb6  1  0.750  0.285  0.895  1.0
  Pb  Pb7  1  0.250  0.715  0.105  1.0
  Pb  Pb8  1  0.250  0.523  0.340  1.0
  Pb  Pb9  1  0.250  0.785  0.605  1.0
  Pb  Pb10  1  0.750  0.852  0.973  1.0
  Pb  Pb11  1  0.250  0.977  0.840  1.0
  I  I12  1  0.750  0.403  0.065  1.0
  I  I13  1  0.250  0.597  0.935  1.0
  I  I14  1  0.250  0.325  0.741  1.0
  I  I15  1  0.750  0.097  0.565  1.0
  I  I16  1  0.250  0.175  0.241  1.0
  I  I17  1  0.750  0.675  0.259  1.0
  I  I18  1  0.250  0.903  0.435  1.0
  I  I19  1  0.750  0.825  0.759  1.0
  O  O20  1  0.000  0.919  0.074  1.0
  O  O21  1  0.500  0.081  0.926  1.0
  O  O22  1  0.500  0.419  0.426  1.0
  O  O23  1  0.500  0.581  0.574  1.0
  O  O24  1  0.000  0.581  0.574  1.0
  O  O25  1  0.500  0.919  0.074  1.0
  O  O26  1  1.000  0.081  0.926  1.0
  O  O27  1  1.000  0.419  0.426  1.0
[/CIF]
.