The material described by Pb3O2Br2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a distorted L-shaped geometry to two equivalent O(1), one Br(1), and one Br(2) atom. In the third Pb site, Pb(3) is bonded in a 2-coordinate geometry to two equivalent O(1), two equivalent Br(1), and two equivalent Br(2) atoms. O(1) is bonded to one Pb(2), one Pb(3), and two equivalent Pb(1) atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Pb(2) and two equivalent Pb(3) atoms. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one Pb(2) and two equivalent Pb(3) atoms. is represented by the CIF file [CIF]
data_Pb3(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   9.974
_cell_length_c   12.369
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.669
_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  0.250  0.076  0.078  1.0
  Pb  Pb1  1  0.750  0.924  0.922  1.0
  Pb  Pb2  1  0.750  0.576  0.422  1.0
  Pb  Pb3  1  0.250  0.424  0.578  1.0
  Pb  Pb4  1  0.250  0.366  0.290  1.0
  Pb  Pb5  1  0.750  0.634  0.710  1.0
  Pb  Pb6  1  0.750  0.866  0.210  1.0
  Pb  Pb7  1  0.250  0.134  0.790  1.0
  Pb  Pb8  1  0.250  0.786  0.556  1.0
  Pb  Pb9  1  0.750  0.214  0.444  1.0
  Pb  Pb10  1  0.750  0.286  0.944  1.0
  Pb  Pb11  1  0.250  0.714  0.056  1.0
  Br  Br12  1  0.250  0.078  0.372  1.0
  Br  Br13  1  0.750  0.922  0.628  1.0
  Br  Br14  1  0.750  0.578  0.128  1.0
  Br  Br15  1  0.250  0.422  0.872  1.0
  Br  Br16  1  0.250  0.806  0.810  1.0
  Br  Br17  1  0.750  0.194  0.190  1.0
  Br  Br18  1  0.750  0.306  0.690  1.0
  Br  Br19  1  0.250  0.694  0.310  1.0
  O  O20  1  0.996  0.389  0.423  1.0
  O  O21  1  0.496  0.611  0.577  1.0
  O  O22  1  0.004  0.889  0.077  1.0
  O  O23  1  0.504  0.111  0.923  1.0
  O  O24  1  0.004  0.611  0.577  1.0
  O  O25  1  0.504  0.389  0.423  1.0
  O  O26  1  0.996  0.111  0.923  1.0
  O  O27  1  0.496  0.889  0.077  1.0
[/CIF]
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The material described by Pb3O2Br2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a distorted L-shaped geometry to two equivalent O(1), one Br(1), and one Br(2) atom. In the third Pb site, Pb(3) is bonded in a 2-coordinate geometry to two equivalent O(1), two equivalent Br(1), and two equivalent Br(2) atoms. O(1) is bonded to one Pb(2), one Pb(3), and two equivalent Pb(1) atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Pb(2) and two equivalent Pb(3) atoms. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one Pb(2) and two equivalent Pb(3) atoms. is represented by the CIF file [CIF]
data_Pb3(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   9.974
_cell_length_c   12.369
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.669
_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  0.250  0.076  0.078  1.0
  Pb  Pb1  1  0.750  0.924  0.922  1.0
  Pb  Pb2  1  0.750  0.576  0.422  1.0
  Pb  Pb3  1  0.250  0.424  0.578  1.0
  Pb  Pb4  1  0.250  0.366  0.290  1.0
  Pb  Pb5  1  0.750  0.634  0.710  1.0
  Pb  Pb6  1  0.750  0.866  0.210  1.0
  Pb  Pb7  1  0.250  0.134  0.790  1.0
  Pb  Pb8  1  0.250  0.786  0.556  1.0
  Pb  Pb9  1  0.750  0.214  0.444  1.0
  Pb  Pb10  1  0.750  0.286  0.944  1.0
  Pb  Pb11  1  0.250  0.714  0.056  1.0
  Br  Br12  1  0.250  0.078  0.372  1.0
  Br  Br13  1  0.750  0.922  0.628  1.0
  Br  Br14  1  0.750  0.578  0.128  1.0
  Br  Br15  1  0.250  0.422  0.872  1.0
  Br  Br16  1  0.250  0.806  0.810  1.0
  Br  Br17  1  0.750  0.194  0.190  1.0
  Br  Br18  1  0.750  0.306  0.690  1.0
  Br  Br19  1  0.250  0.694  0.310  1.0
  O  O20  1  0.996  0.389  0.423  1.0
  O  O21  1  0.496  0.611  0.577  1.0
  O  O22  1  0.004  0.889  0.077  1.0
  O  O23  1  0.504  0.111  0.923  1.0
  O  O24  1  0.004  0.611  0.577  1.0
  O  O25  1  0.504  0.389  0.423  1.0
  O  O26  1  0.996  0.111  0.923  1.0
  O  O27  1  0.496  0.889  0.077  1.0
[/CIF]
.