The compound described by POBr3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pna2_1 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(1), one Br(2), and one Br(3) atom. O(1) is bonded in a single-bond geometry to one P(1) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one P(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one P(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PBr3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   10.252
_cell_length_c   10.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   713.366
_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  0.115  0.812  0.755  1.0
  P  P1  1  0.885  0.188  0.255  1.0
  P  P2  1  0.615  0.688  0.255  1.0
  P  P3  1  0.385  0.312  0.755  1.0
  Br  Br4  1  0.318  0.841  0.591  1.0
  Br  Br5  1  0.682  0.159  0.091  1.0
  Br  Br6  1  0.818  0.659  0.091  1.0
  Br  Br7  1  0.182  0.341  0.591  1.0
  Br  Br8  1  0.898  0.975  0.750  1.0
  Br  Br9  1  0.102  0.025  0.250  1.0
  Br  Br10  1  0.398  0.525  0.250  1.0
  Br  Br11  1  0.602  0.475  0.750  1.0
  Br  Br12  1  0.310  0.849  0.920  1.0
  Br  Br13  1  0.690  0.151  0.420  1.0
  Br  Br14  1  0.810  0.651  0.420  1.0
  Br  Br15  1  0.190  0.349  0.920  1.0
  O  O16  1  0.014  0.683  0.756  1.0
  O  O17  1  0.986  0.317  0.256  1.0
  O  O18  1  0.514  0.817  0.256  1.0
  O  O19  1  0.486  0.183  0.756  1.0
[/CIF]
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The compound described by POBr3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pna2_1 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(1), one Br(2), and one Br(3) atom. O(1) is bonded in a single-bond geometry to one P(1) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one P(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one P(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PBr3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   10.252
_cell_length_c   10.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   713.366
_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  0.115  0.812  0.755  1.0
  P  P1  1  0.885  0.188  0.255  1.0
  P  P2  1  0.615  0.688  0.255  1.0
  P  P3  1  0.385  0.312  0.755  1.0
  Br  Br4  1  0.318  0.841  0.591  1.0
  Br  Br5  1  0.682  0.159  0.091  1.0
  Br  Br6  1  0.818  0.659  0.091  1.0
  Br  Br7  1  0.182  0.341  0.591  1.0
  Br  Br8  1  0.898  0.975  0.750  1.0
  Br  Br9  1  0.102  0.025  0.250  1.0
  Br  Br10  1  0.398  0.525  0.250  1.0
  Br  Br11  1  0.602  0.475  0.750  1.0
  Br  Br12  1  0.310  0.849  0.920  1.0
  Br  Br13  1  0.690  0.151  0.420  1.0
  Br  Br14  1  0.810  0.651  0.420  1.0
  Br  Br15  1  0.190  0.349  0.920  1.0
  O  O16  1  0.014  0.683  0.756  1.0
  O  O17  1  0.986  0.317  0.256  1.0
  O  O18  1  0.514  0.817  0.256  1.0
  O  O19  1  0.486  0.183  0.756  1.0
[/CIF]
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