The material described by Pb(IO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(5), one O(7), and two equivalent O(9) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(8), and two equivalent O(6) atoms. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a distorted single-bond geometry to one Pb(1) and one I(4) atom. In the second O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Pb(1) and one I(4) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1) and one I(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Pb(2) and one I(1) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Pb(2) and one I(1) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(2) and one I(2) atom. In the seventh O site, O(5) is bonded in a single-bond geometry to one Pb(1) and one I(2) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Pb(2) and one I(2) atom. In the ninth O site, O(7) is bonded in a 1-coordinate geometry to one Pb(1) and one I(3) atom. In the tenth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Pb(2) and one I(3) atom. In the eleventh O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Pb(1) and one I(3) atom. In the twelfth O site, O(10) is bonded in a single-bond geometry to one Pb(1) and one I(4) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(7), one O(8), and one O(9) atom. In the fourth I site, I(4) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(11), and one O(12) atom. is represented by the CIF file [CIF]
data_Pb(IO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.952
_cell_length_b   7.095
_cell_length_c   13.237
_cell_angle_alpha   85.560
_cell_angle_beta   86.414
_cell_angle_gamma   63.120
_symmetry_Int_Tables_number   1
_cell_volume   580.341
_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  0.977  0.848  0.869  1.0
  Pb  Pb1  1  0.023  0.152  0.131  1.0
  Pb  Pb2  1  0.965  0.326  0.630  1.0
  Pb  Pb3  1  0.035  0.674  0.370  1.0
  I  I4  1  0.654  0.960  0.616  1.0
  I  I5  1  0.346  0.040  0.384  1.0
  I  I6  1  0.331  0.610  0.615  1.0
  I  I7  1  0.669  0.390  0.385  1.0
  I  I8  1  0.329  0.145  0.875  1.0
  I  I9  1  0.671  0.855  0.125  1.0
  I  I10  1  0.671  0.495  0.883  1.0
  I  I11  1  0.329  0.505  0.117  1.0
  O  O12  1  0.903  0.931  0.668  1.0
  O  O13  1  0.097  0.069  0.332  1.0
  O  O14  1  0.735  0.941  0.482  1.0
  O  O15  1  0.265  0.059  0.518  1.0
  O  O16  1  0.671  0.698  0.647  1.0
  O  O17  1  0.329  0.302  0.353  1.0
  O  O18  1  0.577  0.367  0.590  1.0
  O  O19  1  0.423  0.633  0.410  1.0
  O  O20  1  0.298  0.554  0.748  1.0
  O  O21  1  0.702  0.446  0.252  1.0
  O  O22  1  0.145  0.532  0.560  1.0
  O  O23  1  0.855  0.468  0.440  1.0
  O  O24  1  0.583  0.907  0.894  1.0
  O  O25  1  0.417  0.093  0.106  1.0
  O  O26  1  0.278  0.089  0.751  1.0
  O  O27  1  0.722  0.911  0.249  1.0
  O  O28  1  0.156  0.054  0.949  1.0
  O  O29  1  0.844  0.946  0.051  1.0
  O  O30  1  0.928  0.489  0.839  1.0
  O  O31  1  0.072  0.511  0.161  1.0
  O  O32  1  0.721  0.453  0.018  1.0
  O  O33  1  0.279  0.547  0.982  1.0
  O  O34  1  0.719  0.237  0.845  1.0
  O  O35  1  0.281  0.763  0.155  1.0
[/CIF]
.
The material described by Pb(IO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(5), one O(7), and two equivalent O(9) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(8), and two equivalent O(6) atoms. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a distorted single-bond geometry to one Pb(1) and one I(4) atom. In the second O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Pb(1) and one I(4) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1) and one I(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Pb(2) and one I(1) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Pb(2) and one I(1) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(2) and one I(2) atom. In the seventh O site, O(5) is bonded in a single-bond geometry to one Pb(1) and one I(2) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Pb(2) and one I(2) atom. In the ninth O site, O(7) is bonded in a 1-coordinate geometry to one Pb(1) and one I(3) atom. In the tenth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Pb(2) and one I(3) atom. In the eleventh O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Pb(1) and one I(3) atom. In the twelfth O site, O(10) is bonded in a single-bond geometry to one Pb(1) and one I(4) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(7), one O(8), and one O(9) atom. In the fourth I site, I(4) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(11), and one O(12) atom. is represented by the CIF file [CIF]
data_Pb(IO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.952
_cell_length_b   7.095
_cell_length_c   13.237
_cell_angle_alpha   85.560
_cell_angle_beta   86.414
_cell_angle_gamma   63.120
_symmetry_Int_Tables_number   1
_cell_volume   580.341
_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  0.977  0.848  0.869  1.0
  Pb  Pb1  1  0.023  0.152  0.131  1.0
  Pb  Pb2  1  0.965  0.326  0.630  1.0
  Pb  Pb3  1  0.035  0.674  0.370  1.0
  I  I4  1  0.654  0.960  0.616  1.0
  I  I5  1  0.346  0.040  0.384  1.0
  I  I6  1  0.331  0.610  0.615  1.0
  I  I7  1  0.669  0.390  0.385  1.0
  I  I8  1  0.329  0.145  0.875  1.0
  I  I9  1  0.671  0.855  0.125  1.0
  I  I10  1  0.671  0.495  0.883  1.0
  I  I11  1  0.329  0.505  0.117  1.0
  O  O12  1  0.903  0.931  0.668  1.0
  O  O13  1  0.097  0.069  0.332  1.0
  O  O14  1  0.735  0.941  0.482  1.0
  O  O15  1  0.265  0.059  0.518  1.0
  O  O16  1  0.671  0.698  0.647  1.0
  O  O17  1  0.329  0.302  0.353  1.0
  O  O18  1  0.577  0.367  0.590  1.0
  O  O19  1  0.423  0.633  0.410  1.0
  O  O20  1  0.298  0.554  0.748  1.0
  O  O21  1  0.702  0.446  0.252  1.0
  O  O22  1  0.145  0.532  0.560  1.0
  O  O23  1  0.855  0.468  0.440  1.0
  O  O24  1  0.583  0.907  0.894  1.0
  O  O25  1  0.417  0.093  0.106  1.0
  O  O26  1  0.278  0.089  0.751  1.0
  O  O27  1  0.722  0.911  0.249  1.0
  O  O28  1  0.156  0.054  0.949  1.0
  O  O29  1  0.844  0.946  0.051  1.0
  O  O30  1  0.928  0.489  0.839  1.0
  O  O31  1  0.072  0.511  0.161  1.0
  O  O32  1  0.721  0.453  0.018  1.0
  O  O33  1  0.279  0.547  0.982  1.0
  O  O34  1  0.719  0.237  0.845  1.0
  O  O35  1  0.281  0.763  0.155  1.0
[/CIF]
.