The material described by Pb3(SeO3)2Br2 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 Br(1) atoms. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and three equivalent Br(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 4-coordinate geometry to one Pb(1), two equivalent 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. Br(1) is bonded in a distorted see-saw-like geometry to one Pb(1) and three equivalent Pb(2) atoms. is represented by the CIF file [CIF]
data_Pb3Se2(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.403
_cell_length_b   7.403
_cell_length_c   13.654
_cell_angle_alpha   86.769
_cell_angle_beta   86.769
_cell_angle_gamma   45.562
_symmetry_Int_Tables_number   1
_cell_volume   533.340
_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  0.554  0.446  0.250  1.0
  Pb  Pb1  1  0.446  0.554  0.750  1.0
  Pb  Pb2  1  0.806  0.781  0.353  1.0
  Pb  Pb3  1  0.219  0.194  0.147  1.0
  Pb  Pb4  1  0.194  0.219  0.647  1.0
  Pb  Pb5  1  0.781  0.806  0.853  1.0
  Se  Se6  1  0.109  0.104  0.382  1.0
  Se  Se7  1  0.896  0.891  0.118  1.0
  Se  Se8  1  0.891  0.896  0.618  1.0
  Se  Se9  1  0.104  0.109  0.882  1.0
  Br  Br10  1  0.348  0.367  0.443  1.0
  Br  Br11  1  0.633  0.652  0.057  1.0
  Br  Br12  1  0.652  0.633  0.557  1.0
  Br  Br13  1  0.367  0.348  0.943  1.0
  O  O14  1  0.933  0.380  0.305  1.0
  O  O15  1  0.620  0.067  0.195  1.0
  O  O16  1  0.067  0.620  0.695  1.0
  O  O17  1  0.380  0.933  0.805  1.0
  O  O18  1  0.377  0.905  0.303  1.0
  O  O19  1  0.095  0.623  0.197  1.0
  O  O20  1  0.623  0.095  0.697  1.0
  O  O21  1  0.905  0.377  0.803  1.0
  O  O22  1  0.943  0.029  0.365  1.0
  O  O23  1  0.971  0.057  0.135  1.0
  O  O24  1  0.057  0.971  0.635  1.0
  O  O25  1  0.029  0.943  0.865  1.0
[/CIF]
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The material described by Pb3(SeO3)2Br2 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 Br(1) atoms. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and three equivalent Br(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 4-coordinate geometry to one Pb(1), two equivalent 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. Br(1) is bonded in a distorted see-saw-like geometry to one Pb(1) and three equivalent Pb(2) atoms. is represented by the CIF file [CIF]
data_Pb3Se2(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.403
_cell_length_b   7.403
_cell_length_c   13.654
_cell_angle_alpha   86.769
_cell_angle_beta   86.769
_cell_angle_gamma   45.562
_symmetry_Int_Tables_number   1
_cell_volume   533.340
_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  0.554  0.446  0.250  1.0
  Pb  Pb1  1  0.446  0.554  0.750  1.0
  Pb  Pb2  1  0.806  0.781  0.353  1.0
  Pb  Pb3  1  0.219  0.194  0.147  1.0
  Pb  Pb4  1  0.194  0.219  0.647  1.0
  Pb  Pb5  1  0.781  0.806  0.853  1.0
  Se  Se6  1  0.109  0.104  0.382  1.0
  Se  Se7  1  0.896  0.891  0.118  1.0
  Se  Se8  1  0.891  0.896  0.618  1.0
  Se  Se9  1  0.104  0.109  0.882  1.0
  Br  Br10  1  0.348  0.367  0.443  1.0
  Br  Br11  1  0.633  0.652  0.057  1.0
  Br  Br12  1  0.652  0.633  0.557  1.0
  Br  Br13  1  0.367  0.348  0.943  1.0
  O  O14  1  0.933  0.380  0.305  1.0
  O  O15  1  0.620  0.067  0.195  1.0
  O  O16  1  0.067  0.620  0.695  1.0
  O  O17  1  0.380  0.933  0.805  1.0
  O  O18  1  0.377  0.905  0.303  1.0
  O  O19  1  0.095  0.623  0.197  1.0
  O  O20  1  0.623  0.095  0.697  1.0
  O  O21  1  0.905  0.377  0.803  1.0
  O  O22  1  0.943  0.029  0.365  1.0
  O  O23  1  0.971  0.057  0.135  1.0
  O  O24  1  0.057  0.971  0.635  1.0
  O  O25  1  0.029  0.943  0.865  1.0
[/CIF]
.