data_Si(BP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   7.58
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   97.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si(BP2)2
_chemical_formula_sum   'Si2 B4 P8'
_cell_volume   222.13
_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
  Si  Si12  1  0.78  0.68  0.46  1.0
  Si  Si13  1  0.38  0.89  0.5  1.0
  B  B0  1  0.89  0.68  0.83  1.0
  B  B1  1  0.26  0.89  0.12  1.0
  B  B2  1  0.63  0.68  0.76  1.0
  B  B3  1  0.52  0.89  0.2  1.0
  P  P4  1  0.98  0.68  0.04  1.0
  P  P5  1  0.18  0.89  0.91  1.0
  P  P6  1  0.01  0.68  0.15  1.0
  P  P7  1  0.14  0.89  0.81  1.0
  P  P8  1  0.76  0.35  0.27  1.0
  P  P9  1  0.39  0.56  0.69  1.0
  P  P10  1  0.39  0.23  0.69  1.0
  P  P11  1  0.76  0.01  0.27  1.0

data_Si(BP2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.92
_cell_length_b   6.01
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.34
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Si(BP2)2
_chemical_formula_sum   'Si2 B4 P8'
_cell_volume   222.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Si  Si0  2  0.2  0.48  0.89  1.0
  B  B1  2  0.06  0.78  0.89  1.0
  B  B2  2  0.31  0.86  0.89  1.0
  P  P3  2  0.18  0.29  0.23  1.0
  P  P4  2  0.18  0.29  0.56  1.0
  P  P5  2  0.4  0.07  0.89  1.0
  P  P6  2  0.43  0.17  0.89  1.0

Si Si B B B B P P P P P P P P
Si(BP2)2 crystallizes in the triclinic P-1 space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 1-coordinate geometry to one B(2), one P(1), and one P(2) atom. The B(1)-B(2) bond length is 1.29 Å. The B(1)-P(1) bond length is 1.28 Å. The B(1)-P(2) bond length is 2.05 Å. In the second B site, B(2) is bonded in a 4-coordinate geometry to one B(1), two equivalent Si(1), and one P(4) atom. There is one shorter (2.01 Å) and one longer (2.47 Å) B(2)-Si(1) bond length. The B(2)-P(4) bond length is 1.51 Å. Si(1) is bonded in a 2-coordinate geometry to two equivalent B(2), one P(2), and one P(3) atom. The Si(1)-P(2) bond length is 2.32 Å. The Si(1)-P(3) bond length is 2.77 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a linear geometry to one B(1) and one P(2) atom. The P(1)-P(2) bond length is 0.61 Å. In the second P site, P(2) is bonded in a 3-coordinate geometry to one B(1), one Si(1), and one P(1) atom. In the third P site, P(3) is bonded in a bent 150 degrees geometry to one Si(1) and one P(4) atom. The P(3)-P(4) bond length is 2.53 Å. In the fourth P site, P(4) is bonded in a single-bond geometry to one B(2) and one P(3) atom.