The material described by PBr3 is Ammonia-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four phosphorus tribromide molecules. P(1) is bonded in a trigonal non-coplanar geometry to one Br(2) and two equivalent Br(1) atoms. There are two 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. is represented by the CIF card [CIF]
data_PBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.599
_cell_length_b   8.323
_cell_length_c   10.168
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.459
_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  0.027  0.037  0.250  1.0
  P  P1  1  0.527  0.463  0.750  1.0
  P  P2  1  0.473  0.537  0.250  1.0
  P  P3  1  0.973  0.963  0.750  1.0
  Br  Br4  1  0.148  0.181  0.081  1.0
  Br  Br5  1  0.648  0.319  0.919  1.0
  Br  Br6  1  0.352  0.681  0.419  1.0
  Br  Br7  1  0.852  0.819  0.581  1.0
  Br  Br8  1  0.852  0.819  0.919  1.0
  Br  Br9  1  0.352  0.681  0.081  1.0
  Br  Br10  1  0.648  0.319  0.581  1.0
  Br  Br11  1  0.148  0.181  0.419  1.0
  Br  Br12  1  0.699  0.107  0.250  1.0
  Br  Br13  1  0.199  0.393  0.750  1.0
  Br  Br14  1  0.801  0.607  0.250  1.0
  Br  Br15  1  0.301  0.893  0.750  1.0
[/CIF]
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The material described by PBr3 is Ammonia-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four phosphorus tribromide molecules. P(1) is bonded in a trigonal non-coplanar geometry to one Br(2) and two equivalent Br(1) atoms. There are two 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. is represented by the CIF card [CIF]
data_PBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.599
_cell_length_b   8.323
_cell_length_c   10.168
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.459
_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  0.027  0.037  0.250  1.0
  P  P1  1  0.527  0.463  0.750  1.0
  P  P2  1  0.473  0.537  0.250  1.0
  P  P3  1  0.973  0.963  0.750  1.0
  Br  Br4  1  0.148  0.181  0.081  1.0
  Br  Br5  1  0.648  0.319  0.919  1.0
  Br  Br6  1  0.352  0.681  0.419  1.0
  Br  Br7  1  0.852  0.819  0.581  1.0
  Br  Br8  1  0.852  0.819  0.919  1.0
  Br  Br9  1  0.352  0.681  0.081  1.0
  Br  Br10  1  0.648  0.319  0.581  1.0
  Br  Br11  1  0.148  0.181  0.419  1.0
  Br  Br12  1  0.699  0.107  0.250  1.0
  Br  Br13  1  0.199  0.393  0.750  1.0
  Br  Br14  1  0.801  0.607  0.250  1.0
  Br  Br15  1  0.301  0.893  0.750  1.0
[/CIF]
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