The structure described by Pb3(SeO3)2I2 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 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent I(1) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), two equivalent O(1), and three equivalent I(1) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one Se(1) atom. In the second O site, O(3) is bonded in a 1-coordinate geometry to one Pb(1), one Pb(2), and one Se(1) atom. In the third O site, O(1) is bonded to one Pb(1), two equivalent Pb(2), and one Se(1) atom to form distorted corner-sharing OPb3Se tetrahedra. I(1) is bonded in a 4-coordinate geometry to one Pb(1) and three equivalent Pb(2) atoms. is represented by the CIF file [CIF]
data_Pb3Se2(IO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.450
_cell_length_b   7.450
_cell_length_c   14.636
_cell_angle_alpha   86.832
_cell_angle_beta   86.832
_cell_angle_gamma   45.990
_symmetry_Int_Tables_number   1
_cell_volume   583.108
_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  0.568  0.432  0.250  1.0
  Pb  Pb1  1  0.432  0.568  0.750  1.0
  Pb  Pb2  1  0.813  0.776  0.346  1.0
  Pb  Pb3  1  0.224  0.187  0.154  1.0
  Pb  Pb4  1  0.187  0.224  0.654  1.0
  Pb  Pb5  1  0.776  0.813  0.846  1.0
  Se  Se6  1  0.889  0.903  0.629  1.0
  Se  Se7  1  0.097  0.111  0.871  1.0
  Se  Se8  1  0.111  0.097  0.371  1.0
  Se  Se9  1  0.903  0.889  0.129  1.0
  I  I10  1  0.353  0.367  0.447  1.0
  I  I11  1  0.633  0.647  0.053  1.0
  I  I12  1  0.647  0.633  0.553  1.0
  I  I13  1  0.367  0.353  0.947  1.0
  O  O14  1  0.936  0.374  0.301  1.0
  O  O15  1  0.626  0.064  0.199  1.0
  O  O16  1  0.064  0.626  0.699  1.0
  O  O17  1  0.374  0.936  0.801  1.0
  O  O18  1  0.971  0.060  0.145  1.0
  O  O19  1  0.940  0.029  0.355  1.0
  O  O20  1  0.029  0.940  0.855  1.0
  O  O21  1  0.060  0.971  0.645  1.0
  O  O22  1  0.096  0.626  0.202  1.0
  O  O23  1  0.374  0.904  0.298  1.0
  O  O24  1  0.904  0.374  0.798  1.0
  O  O25  1  0.626  0.096  0.702  1.0
[/CIF]
.
The structure described by Pb3(SeO3)2I2 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 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent I(1) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), two equivalent O(1), and three equivalent I(1) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one Se(1) atom. In the second O site, O(3) is bonded in a 1-coordinate geometry to one Pb(1), one Pb(2), and one Se(1) atom. In the third O site, O(1) is bonded to one Pb(1), two equivalent Pb(2), and one Se(1) atom to form distorted corner-sharing OPb3Se tetrahedra. I(1) is bonded in a 4-coordinate geometry to one Pb(1) and three equivalent Pb(2) atoms. is represented by the CIF file [CIF]
data_Pb3Se2(IO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.450
_cell_length_b   7.450
_cell_length_c   14.636
_cell_angle_alpha   86.832
_cell_angle_beta   86.832
_cell_angle_gamma   45.990
_symmetry_Int_Tables_number   1
_cell_volume   583.108
_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  0.568  0.432  0.250  1.0
  Pb  Pb1  1  0.432  0.568  0.750  1.0
  Pb  Pb2  1  0.813  0.776  0.346  1.0
  Pb  Pb3  1  0.224  0.187  0.154  1.0
  Pb  Pb4  1  0.187  0.224  0.654  1.0
  Pb  Pb5  1  0.776  0.813  0.846  1.0
  Se  Se6  1  0.889  0.903  0.629  1.0
  Se  Se7  1  0.097  0.111  0.871  1.0
  Se  Se8  1  0.111  0.097  0.371  1.0
  Se  Se9  1  0.903  0.889  0.129  1.0
  I  I10  1  0.353  0.367  0.447  1.0
  I  I11  1  0.633  0.647  0.053  1.0
  I  I12  1  0.647  0.633  0.553  1.0
  I  I13  1  0.367  0.353  0.947  1.0
  O  O14  1  0.936  0.374  0.301  1.0
  O  O15  1  0.626  0.064  0.199  1.0
  O  O16  1  0.064  0.626  0.699  1.0
  O  O17  1  0.374  0.936  0.801  1.0
  O  O18  1  0.971  0.060  0.145  1.0
  O  O19  1  0.940  0.029  0.355  1.0
  O  O20  1  0.029  0.940  0.855  1.0
  O  O21  1  0.060  0.971  0.645  1.0
  O  O22  1  0.096  0.626  0.202  1.0
  O  O23  1  0.374  0.904  0.298  1.0
  O  O24  1  0.904  0.374  0.798  1.0
  O  O25  1  0.626  0.096  0.702  1.0
[/CIF]
.