The material structure described by BSi3 crystallizes in the hexagonal P6_3/mmc space group. B(1) is bonded to twelve equivalent Si(1) atoms to form BSi12 cuboctahedra that share corners with six equivalent B(1)Si12 cuboctahedra, corners with twelve equivalent Si(1)Si8B4 cuboctahedra, edges with eighteen equivalent Si(1)Si8B4 cuboctahedra, faces with eight equivalent B(1)Si12 cuboctahedra, and faces with twelve equivalent Si(1)Si8B4 cuboctahedra. Si(1) is bonded to four equivalent B(1) and eight equivalent Si(1) atoms to form distorted SiSi8B4 cuboctahedra that share corners with four equivalent B(1)Si12 cuboctahedra, corners with fourteen equivalent Si(1)Si8B4 cuboctahedra, edges with six equivalent B(1)Si12 cuboctahedra, edges with twelve equivalent Si(1)Si8B4 cuboctahedra, faces with four equivalent B(1)Si12 cuboctahedra, and faces with sixteen equivalent Si(1)Si8B4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.013
_cell_length_c   4.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.911
_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  Si0  1  0.169  0.338  0.250  1.0
  Si  Si1  1  0.662  0.831  0.250  1.0
  Si  Si2  1  0.169  0.831  0.250  1.0
  Si  Si3  1  0.831  0.662  0.750  1.0
  Si  Si4  1  0.338  0.169  0.750  1.0
  Si  Si5  1  0.831  0.169  0.750  1.0
  B  B6  1  0.333  0.667  0.750  1.0
  B  B7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The material structure described by BSi3 crystallizes in the hexagonal P6_3/mmc space group. B(1) is bonded to twelve equivalent Si(1) atoms to form BSi12 cuboctahedra that share corners with six equivalent B(1)Si12 cuboctahedra, corners with twelve equivalent Si(1)Si8B4 cuboctahedra, edges with eighteen equivalent Si(1)Si8B4 cuboctahedra, faces with eight equivalent B(1)Si12 cuboctahedra, and faces with twelve equivalent Si(1)Si8B4 cuboctahedra. Si(1) is bonded to four equivalent B(1) and eight equivalent Si(1) atoms to form distorted SiSi8B4 cuboctahedra that share corners with four equivalent B(1)Si12 cuboctahedra, corners with fourteen equivalent Si(1)Si8B4 cuboctahedra, edges with six equivalent B(1)Si12 cuboctahedra, edges with twelve equivalent Si(1)Si8B4 cuboctahedra, faces with four equivalent B(1)Si12 cuboctahedra, and faces with sixteen equivalent Si(1)Si8B4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.013
_cell_length_c   4.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.911
_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  Si0  1  0.169  0.338  0.250  1.0
  Si  Si1  1  0.662  0.831  0.250  1.0
  Si  Si2  1  0.169  0.831  0.250  1.0
  Si  Si3  1  0.831  0.662  0.750  1.0
  Si  Si4  1  0.338  0.169  0.750  1.0
  Si  Si5  1  0.831  0.169  0.750  1.0
  B  B6  1  0.333  0.667  0.750  1.0
  B  B7  1  0.667  0.333  0.250  1.0
[/CIF]
.