The material described by BP4(SBr)3 is Indium-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two BP4(SBr)3 clusters. B(1) is bonded in a tetrahedral geometry to one P(2), one Br(1), and two equivalent Br(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a distorted single-bond geometry to one S(2) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one B(1), one S(1), and two equivalent S(2) atoms. In the third P site, P(3) is bonded in a distorted single-bond geometry to one S(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the second S site, S(2) is bonded in a water-like geometry to one P(1) and one P(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one B(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_BP4(SBr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.133
_cell_length_b   6.733
_cell_length_c   9.044
_cell_angle_alpha   70.558
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   639.280
_cell_formula_units_Z   2
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  0.750  0.678  0.721  1.0
  B  B1  1  0.250  0.322  0.279  1.0
  P  P2  1  0.352  0.057  0.860  1.0
  P  P3  1  0.852  0.943  0.140  1.0
  P  P4  1  0.648  0.943  0.140  1.0
  P  P5  1  0.148  0.057  0.860  1.0
  P  P6  1  0.750  0.747  0.486  1.0
  P  P7  1  0.250  0.253  0.514  1.0
  P  P8  1  0.750  0.638  0.171  1.0
  P  P9  1  0.250  0.362  0.829  1.0
  S  S10  1  0.750  0.482  0.415  1.0
  S  S11  1  0.250  0.518  0.585  1.0
  S  S12  1  0.398  0.078  0.630  1.0
  S  S13  1  0.898  0.922  0.370  1.0
  S  S14  1  0.602  0.922  0.370  1.0
  S  S15  1  0.102  0.078  0.630  1.0
  Br  Br16  1  0.750  0.958  0.759  1.0
  Br  Br17  1  0.250  0.042  0.241  1.0
  Br  Br18  1  0.401  0.486  0.202  1.0
  Br  Br19  1  0.901  0.514  0.798  1.0
  Br  Br20  1  0.599  0.514  0.798  1.0
  Br  Br21  1  0.099  0.486  0.202  1.0
[/CIF]
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The material described by BP4(SBr)3 is Indium-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two BP4(SBr)3 clusters. B(1) is bonded in a tetrahedral geometry to one P(2), one Br(1), and two equivalent Br(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a distorted single-bond geometry to one S(2) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one B(1), one S(1), and two equivalent S(2) atoms. In the third P site, P(3) is bonded in a distorted single-bond geometry to one S(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the second S site, S(2) is bonded in a water-like geometry to one P(1) and one P(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one B(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_BP4(SBr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.133
_cell_length_b   6.733
_cell_length_c   9.044
_cell_angle_alpha   70.558
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   639.280
_cell_formula_units_Z   2
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  0.750  0.678  0.721  1.0
  B  B1  1  0.250  0.322  0.279  1.0
  P  P2  1  0.352  0.057  0.860  1.0
  P  P3  1  0.852  0.943  0.140  1.0
  P  P4  1  0.648  0.943  0.140  1.0
  P  P5  1  0.148  0.057  0.860  1.0
  P  P6  1  0.750  0.747  0.486  1.0
  P  P7  1  0.250  0.253  0.514  1.0
  P  P8  1  0.750  0.638  0.171  1.0
  P  P9  1  0.250  0.362  0.829  1.0
  S  S10  1  0.750  0.482  0.415  1.0
  S  S11  1  0.250  0.518  0.585  1.0
  S  S12  1  0.398  0.078  0.630  1.0
  S  S13  1  0.898  0.922  0.370  1.0
  S  S14  1  0.602  0.922  0.370  1.0
  S  S15  1  0.102  0.078  0.630  1.0
  Br  Br16  1  0.750  0.958  0.759  1.0
  Br  Br17  1  0.250  0.042  0.241  1.0
  Br  Br18  1  0.401  0.486  0.202  1.0
  Br  Br19  1  0.901  0.514  0.798  1.0
  Br  Br20  1  0.599  0.514  0.798  1.0
  Br  Br21  1  0.099  0.486  0.202  1.0
[/CIF]
.