The structure described by POBr3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four phosphorus oxybromide molecules. P(1) is bonded in a distorted tetrahedral geometry to one O(1), one Br(2), and two equivalent Br(1) atoms. O(1) is bonded in a single-bond geometry to one P(1) atom. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a single-bond geometry to one P(1) atom. In the second Br site, Br(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF file [CIF]
data_PBr3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   9.452
_cell_length_c   10.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   589.265
_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
  P  P0  1  0.118  0.810  0.755  1.0
  P  P1  1  0.882  0.190  0.255  1.0
  P  P2  1  0.618  0.690  0.255  1.0
  P  P3  1  0.382  0.310  0.755  1.0
  Br  Br4  1  0.323  0.845  0.582  1.0
  Br  Br5  1  0.677  0.155  0.082  1.0
  Br  Br6  1  0.823  0.655  0.082  1.0
  Br  Br7  1  0.177  0.345  0.582  1.0
  Br  Br8  1  0.891  0.985  0.754  1.0
  Br  Br9  1  0.109  0.015  0.254  1.0
  Br  Br10  1  0.391  0.515  0.254  1.0
  Br  Br11  1  0.609  0.485  0.754  1.0
  Br  Br12  1  0.324  0.845  0.928  1.0
  Br  Br13  1  0.676  0.155  0.428  1.0
  Br  Br14  1  0.824  0.655  0.428  1.0
  Br  Br15  1  0.176  0.345  0.928  1.0
  O  O16  1  0.014  0.671  0.755  1.0
  O  O17  1  0.986  0.329  0.255  1.0
  O  O18  1  0.514  0.829  0.255  1.0
  O  O19  1  0.486  0.171  0.755  1.0
[/CIF]
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The structure described by POBr3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four phosphorus oxybromide molecules. P(1) is bonded in a distorted tetrahedral geometry to one O(1), one Br(2), and two equivalent Br(1) atoms. O(1) is bonded in a single-bond geometry to one P(1) atom. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a single-bond geometry to one P(1) atom. In the second Br site, Br(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF file [CIF]
data_PBr3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   9.452
_cell_length_c   10.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   589.265
_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
  P  P0  1  0.118  0.810  0.755  1.0
  P  P1  1  0.882  0.190  0.255  1.0
  P  P2  1  0.618  0.690  0.255  1.0
  P  P3  1  0.382  0.310  0.755  1.0
  Br  Br4  1  0.323  0.845  0.582  1.0
  Br  Br5  1  0.677  0.155  0.082  1.0
  Br  Br6  1  0.823  0.655  0.082  1.0
  Br  Br7  1  0.177  0.345  0.582  1.0
  Br  Br8  1  0.891  0.985  0.754  1.0
  Br  Br9  1  0.109  0.015  0.254  1.0
  Br  Br10  1  0.391  0.515  0.254  1.0
  Br  Br11  1  0.609  0.485  0.754  1.0
  Br  Br12  1  0.324  0.845  0.928  1.0
  Br  Br13  1  0.676  0.155  0.428  1.0
  Br  Br14  1  0.824  0.655  0.428  1.0
  Br  Br15  1  0.176  0.345  0.928  1.0
  O  O16  1  0.014  0.671  0.755  1.0
  O  O17  1  0.986  0.329  0.255  1.0
  O  O18  1  0.514  0.829  0.255  1.0
  O  O19  1  0.486  0.171  0.755  1.0
[/CIF]
.