The structure described by Pb2PO4I crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(4), and three equivalent I(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(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 P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(2), two equivalent Pb(1), and one P(1) atom. I(1) is bonded in a 3-coordinate geometry to three equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PPb2IO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.792
_cell_length_b   8.612
_cell_length_c   9.143
_cell_angle_alpha   68.602
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   644.516
_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
  P  P0  1  0.050  0.732  0.960  1.0
  P  P1  1  0.550  0.768  0.040  1.0
  P  P2  1  0.950  0.268  0.040  1.0
  P  P3  1  0.450  0.232  0.960  1.0
  Pb  Pb4  1  0.298  0.454  0.154  1.0
  Pb  Pb5  1  0.798  0.046  0.846  1.0
  Pb  Pb6  1  0.702  0.546  0.846  1.0
  Pb  Pb7  1  0.202  0.954  0.154  1.0
  Pb  Pb8  1  0.325  0.974  0.731  1.0
  Pb  Pb9  1  0.825  0.526  0.269  1.0
  Pb  Pb10  1  0.675  0.026  0.269  1.0
  Pb  Pb11  1  0.175  0.474  0.731  1.0
  I  I12  1  0.937  0.753  0.501  1.0
  I  I13  1  0.437  0.747  0.499  1.0
  I  I14  1  0.063  0.247  0.499  1.0
  I  I15  1  0.563  0.253  0.501  1.0
  O  O16  1  0.064  0.641  0.141  1.0
  O  O17  1  0.564  0.859  0.859  1.0
  O  O18  1  0.936  0.359  0.859  1.0
  O  O19  1  0.436  0.141  0.141  1.0
  O  O20  1  0.115  0.273  0.090  1.0
  O  O21  1  0.615  0.227  0.910  1.0
  O  O22  1  0.885  0.727  0.910  1.0
  O  O23  1  0.385  0.773  0.090  1.0
  O  O24  1  0.665  0.852  0.116  1.0
  O  O25  1  0.165  0.648  0.884  1.0
  O  O26  1  0.335  0.148  0.884  1.0
  O  O27  1  0.835  0.352  0.116  1.0
  O  O28  1  0.404  0.416  0.916  1.0
  O  O29  1  0.904  0.084  0.084  1.0
  O  O30  1  0.596  0.584  0.084  1.0
  O  O31  1  0.096  0.916  0.916  1.0
[/CIF]
.
The structure described by Pb2PO4I crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(4), and three equivalent I(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(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 P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(2), two equivalent Pb(1), and one P(1) atom. I(1) is bonded in a 3-coordinate geometry to three equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PPb2IO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.792
_cell_length_b   8.612
_cell_length_c   9.143
_cell_angle_alpha   68.602
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   644.516
_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
  P  P0  1  0.050  0.732  0.960  1.0
  P  P1  1  0.550  0.768  0.040  1.0
  P  P2  1  0.950  0.268  0.040  1.0
  P  P3  1  0.450  0.232  0.960  1.0
  Pb  Pb4  1  0.298  0.454  0.154  1.0
  Pb  Pb5  1  0.798  0.046  0.846  1.0
  Pb  Pb6  1  0.702  0.546  0.846  1.0
  Pb  Pb7  1  0.202  0.954  0.154  1.0
  Pb  Pb8  1  0.325  0.974  0.731  1.0
  Pb  Pb9  1  0.825  0.526  0.269  1.0
  Pb  Pb10  1  0.675  0.026  0.269  1.0
  Pb  Pb11  1  0.175  0.474  0.731  1.0
  I  I12  1  0.937  0.753  0.501  1.0
  I  I13  1  0.437  0.747  0.499  1.0
  I  I14  1  0.063  0.247  0.499  1.0
  I  I15  1  0.563  0.253  0.501  1.0
  O  O16  1  0.064  0.641  0.141  1.0
  O  O17  1  0.564  0.859  0.859  1.0
  O  O18  1  0.936  0.359  0.859  1.0
  O  O19  1  0.436  0.141  0.141  1.0
  O  O20  1  0.115  0.273  0.090  1.0
  O  O21  1  0.615  0.227  0.910  1.0
  O  O22  1  0.885  0.727  0.910  1.0
  O  O23  1  0.385  0.773  0.090  1.0
  O  O24  1  0.665  0.852  0.116  1.0
  O  O25  1  0.165  0.648  0.884  1.0
  O  O26  1  0.335  0.148  0.884  1.0
  O  O27  1  0.835  0.352  0.116  1.0
  O  O28  1  0.404  0.416  0.916  1.0
  O  O29  1  0.904  0.084  0.084  1.0
  O  O30  1  0.596  0.584  0.084  1.0
  O  O31  1  0.096  0.916  0.916  1.0
[/CIF]
.