The material described by Pb(O3Br)2 crystallizes in the monoclinic C2/c space group. Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1) and one Br(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one Br(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one Br(1) atom. Br(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF card [CIF]
data_Pb(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.480
_cell_length_b   7.480
_cell_length_c   8.288
_cell_angle_alpha   54.120
_cell_angle_beta   125.880
_cell_angle_gamma   118.103
_symmetry_Int_Tables_number   1
_cell_volume   298.647
_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  0.840  0.840  0.750  1.0
  Pb  Pb1  1  0.160  0.160  0.250  1.0
  Br  Br2  1  0.323  0.705  0.807  1.0
  Br  Br3  1  0.295  0.677  0.307  1.0
  Br  Br4  1  0.705  0.323  0.693  1.0
  Br  Br5  1  0.677  0.295  0.193  1.0
  O  O6  1  0.083  0.802  0.629  1.0
  O  O7  1  0.239  0.426  0.897  1.0
  O  O8  1  0.417  0.780  0.630  1.0
  O  O9  1  0.198  0.917  0.129  1.0
  O  O10  1  0.574  0.761  0.397  1.0
  O  O11  1  0.220  0.583  0.130  1.0
  O  O12  1  0.780  0.417  0.870  1.0
  O  O13  1  0.426  0.239  0.603  1.0
  O  O14  1  0.802  0.083  0.871  1.0
  O  O15  1  0.583  0.220  0.370  1.0
  O  O16  1  0.761  0.574  0.103  1.0
  O  O17  1  0.917  0.198  0.371  1.0
[/CIF]
.
The material described by Pb(O3Br)2 crystallizes in the monoclinic C2/c space group. Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1) and one Br(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one Br(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one Br(1) atom. Br(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF card [CIF]
data_Pb(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.480
_cell_length_b   7.480
_cell_length_c   8.288
_cell_angle_alpha   54.120
_cell_angle_beta   125.880
_cell_angle_gamma   118.103
_symmetry_Int_Tables_number   1
_cell_volume   298.647
_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  0.840  0.840  0.750  1.0
  Pb  Pb1  1  0.160  0.160  0.250  1.0
  Br  Br2  1  0.323  0.705  0.807  1.0
  Br  Br3  1  0.295  0.677  0.307  1.0
  Br  Br4  1  0.705  0.323  0.693  1.0
  Br  Br5  1  0.677  0.295  0.193  1.0
  O  O6  1  0.083  0.802  0.629  1.0
  O  O7  1  0.239  0.426  0.897  1.0
  O  O8  1  0.417  0.780  0.630  1.0
  O  O9  1  0.198  0.917  0.129  1.0
  O  O10  1  0.574  0.761  0.397  1.0
  O  O11  1  0.220  0.583  0.130  1.0
  O  O12  1  0.780  0.417  0.870  1.0
  O  O13  1  0.426  0.239  0.603  1.0
  O  O14  1  0.802  0.083  0.871  1.0
  O  O15  1  0.583  0.220  0.370  1.0
  O  O16  1  0.761  0.574  0.103  1.0
  O  O17  1  0.917  0.198  0.371  1.0
[/CIF]
.