data_B3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Sb
_chemical_formula_sum   'B3 Sb1'
_cell_volume   46.19
_cell_formula_units_Z   1
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  0.48  0.48  0.33  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.48  0.48  0.95  1.0
  Sb  Sb3  1  0.0  0.0  0.64  1.0

data_B3Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B3Sb
_chemical_formula_sum   'B6 Sb2'
_cell_volume   92.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  B  B1  2  0.48  0.0  0.33  1.0
  B  B2  2  0.48  0.0  0.95  1.0
  Sb  Sb3  2  0.0  0.0  0.64  1.0

B B B Sb
B3Sb crystallizes in the monoclinic Cm space group. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to one B(3) and four equivalent Sb(1) atoms. The B(1)-B(3) bond length is 2.00 Å. There are a spread of B(1)-Sb(1) bond distances ranging from 2.59-2.73 Å. In the second B site, B(2) is bonded to four equivalent B(3) and one Sb(1) atom to form a mixture of distorted corner and edge-sharing BB4Sb square pyramids. There are a spread of B(2)-B(3) bond distances ranging from 2.02-2.19 Å. The B(2)-Sb(1) bond length is 1.91 Å. In the third B site, B(3) is bonded in a 5-coordinate geometry to one B(1) and four equivalent B(2) atoms. Sb(1) is bonded in a distorted single-bond geometry to one B(2) and four equivalent B(1) atoms.