The material structure described by BPBr6 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four BPBr6 clusters. B(1) is bonded in a tetrahedral geometry to one P(1), one Br(2), and two equivalent Br(3) atoms. P(1) is bonded in a tetrahedral geometry to one B(1), one Br(1), and two equivalent Br(4) atoms. There are four 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 B(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BPBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.200
_cell_length_b   11.269
_cell_length_c   12.537
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1017.143
_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
  B  B0  1  0.431  0.750  0.856  1.0
  B  B1  1  0.069  0.750  0.356  1.0
  B  B2  1  0.569  0.250  0.144  1.0
  B  B3  1  0.931  0.250  0.644  1.0
  P  P4  1  0.699  0.750  0.899  1.0
  P  P5  1  0.801  0.750  0.399  1.0
  P  P6  1  0.301  0.250  0.101  1.0
  P  P7  1  0.199  0.250  0.601  1.0
  Br  Br8  1  0.888  0.750  0.765  1.0
  Br  Br9  1  0.612  0.750  0.265  1.0
  Br  Br10  1  0.112  0.250  0.235  1.0
  Br  Br11  1  0.388  0.250  0.735  1.0
  Br  Br12  1  0.295  0.750  0.995  1.0
  Br  Br13  1  0.205  0.750  0.495  1.0
  Br  Br14  1  0.705  0.250  0.005  1.0
  Br  Br15  1  0.795  0.250  0.505  1.0
  Br  Br16  1  0.398  0.898  0.772  1.0
  Br  Br17  1  0.102  0.602  0.272  1.0
  Br  Br18  1  0.602  0.398  0.228  1.0
  Br  Br19  1  0.898  0.102  0.728  1.0
  Br  Br20  1  0.602  0.102  0.228  1.0
  Br  Br21  1  0.898  0.398  0.728  1.0
  Br  Br22  1  0.398  0.602  0.772  1.0
  Br  Br23  1  0.102  0.898  0.272  1.0
  Br  Br24  1  0.767  0.905  0.994  1.0
  Br  Br25  1  0.733  0.595  0.494  1.0
  Br  Br26  1  0.233  0.405  0.006  1.0
  Br  Br27  1  0.267  0.095  0.506  1.0
  Br  Br28  1  0.233  0.095  0.006  1.0
  Br  Br29  1  0.267  0.405  0.506  1.0
  Br  Br30  1  0.767  0.595  0.994  1.0
  Br  Br31  1  0.733  0.905  0.494  1.0
[/CIF]
.
The material structure described by BPBr6 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four BPBr6 clusters. B(1) is bonded in a tetrahedral geometry to one P(1), one Br(2), and two equivalent Br(3) atoms. P(1) is bonded in a tetrahedral geometry to one B(1), one Br(1), and two equivalent Br(4) atoms. There are four 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 B(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BPBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.200
_cell_length_b   11.269
_cell_length_c   12.537
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1017.143
_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
  B  B0  1  0.431  0.750  0.856  1.0
  B  B1  1  0.069  0.750  0.356  1.0
  B  B2  1  0.569  0.250  0.144  1.0
  B  B3  1  0.931  0.250  0.644  1.0
  P  P4  1  0.699  0.750  0.899  1.0
  P  P5  1  0.801  0.750  0.399  1.0
  P  P6  1  0.301  0.250  0.101  1.0
  P  P7  1  0.199  0.250  0.601  1.0
  Br  Br8  1  0.888  0.750  0.765  1.0
  Br  Br9  1  0.612  0.750  0.265  1.0
  Br  Br10  1  0.112  0.250  0.235  1.0
  Br  Br11  1  0.388  0.250  0.735  1.0
  Br  Br12  1  0.295  0.750  0.995  1.0
  Br  Br13  1  0.205  0.750  0.495  1.0
  Br  Br14  1  0.705  0.250  0.005  1.0
  Br  Br15  1  0.795  0.250  0.505  1.0
  Br  Br16  1  0.398  0.898  0.772  1.0
  Br  Br17  1  0.102  0.602  0.272  1.0
  Br  Br18  1  0.602  0.398  0.228  1.0
  Br  Br19  1  0.898  0.102  0.728  1.0
  Br  Br20  1  0.602  0.102  0.228  1.0
  Br  Br21  1  0.898  0.398  0.728  1.0
  Br  Br22  1  0.398  0.602  0.772  1.0
  Br  Br23  1  0.102  0.898  0.272  1.0
  Br  Br24  1  0.767  0.905  0.994  1.0
  Br  Br25  1  0.733  0.595  0.494  1.0
  Br  Br26  1  0.233  0.405  0.006  1.0
  Br  Br27  1  0.267  0.095  0.506  1.0
  Br  Br28  1  0.233  0.095  0.006  1.0
  Br  Br29  1  0.267  0.405  0.506  1.0
  Br  Br30  1  0.767  0.595  0.994  1.0
  Br  Br31  1  0.733  0.905  0.494  1.0
[/CIF]
.