The crystal structure described by SiB3 crystallizes in the orthorhombic Imma space group. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one B(4), two equivalent B(2), two equivalent B(3), and one Si(2) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one B(1), one B(2), one B(4), two equivalent B(3), and one Si(1) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one B(1), two equivalent B(2), two equivalent B(3), and one Si(2) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to two equivalent B(2), one Si(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(4), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_SiB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.206
_cell_length_b   8.154
_cell_length_c   8.154
_cell_angle_alpha   61.691
_cell_angle_beta   67.630
_cell_angle_gamma   67.630
_symmetry_Int_Tables_number   1
_cell_volume   325.627
_cell_formula_units_Z   8
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  0.314  0.482  0.018  1.0
  Si  Si1  1  0.686  0.982  0.518  1.0
  Si  Si2  1  0.848  0.155  0.155  1.0
  Si  Si3  1  0.314  0.018  0.482  1.0
  Si  Si4  1  0.686  0.518  0.982  1.0
  Si  Si5  1  0.657  0.345  0.345  1.0
  Si  Si6  1  0.343  0.655  0.655  1.0
  Si  Si7  1  0.152  0.845  0.845  1.0
  B  B8  1  0.149  0.574  0.574  1.0
  B  B9  1  0.115  0.498  0.276  1.0
  B  B10  1  0.610  0.998  0.776  1.0
  B  B11  1  0.885  0.502  0.724  1.0
  B  B12  1  0.851  0.426  0.426  1.0
  B  B13  1  0.885  0.724  0.502  1.0
  B  B14  1  0.154  0.677  0.327  1.0
  B  B15  1  0.657  0.823  0.173  1.0
  B  B16  1  0.343  0.177  0.827  1.0
  B  B17  1  0.202  0.074  0.074  1.0
  B  B18  1  0.610  0.776  0.998  1.0
  B  B19  1  0.846  0.673  0.323  1.0
  B  B20  1  0.846  0.323  0.673  1.0
  B  B21  1  0.115  0.276  0.498  1.0
  B  B22  1  0.341  0.931  0.931  1.0
  B  B23  1  0.702  0.569  0.569  1.0
  B  B24  1  0.657  0.173  0.823  1.0
  B  B25  1  0.390  0.002  0.224  1.0
  B  B26  1  0.154  0.327  0.677  1.0
  B  B27  1  0.659  0.069  0.069  1.0
  B  B28  1  0.298  0.431  0.431  1.0
  B  B29  1  0.390  0.224  0.002  1.0
  B  B30  1  0.798  0.926  0.926  1.0
  B  B31  1  0.343  0.827  0.177  1.0
[/CIF]
.
The crystal structure described by SiB3 crystallizes in the orthorhombic Imma space group. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one B(4), two equivalent B(2), two equivalent B(3), and one Si(2) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one B(1), one B(2), one B(4), two equivalent B(3), and one Si(1) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one B(1), two equivalent B(2), two equivalent B(3), and one Si(2) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to two equivalent B(2), one Si(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(4), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_SiB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.206
_cell_length_b   8.154
_cell_length_c   8.154
_cell_angle_alpha   61.691
_cell_angle_beta   67.630
_cell_angle_gamma   67.630
_symmetry_Int_Tables_number   1
_cell_volume   325.627
_cell_formula_units_Z   8
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  0.314  0.482  0.018  1.0
  Si  Si1  1  0.686  0.982  0.518  1.0
  Si  Si2  1  0.848  0.155  0.155  1.0
  Si  Si3  1  0.314  0.018  0.482  1.0
  Si  Si4  1  0.686  0.518  0.982  1.0
  Si  Si5  1  0.657  0.345  0.345  1.0
  Si  Si6  1  0.343  0.655  0.655  1.0
  Si  Si7  1  0.152  0.845  0.845  1.0
  B  B8  1  0.149  0.574  0.574  1.0
  B  B9  1  0.115  0.498  0.276  1.0
  B  B10  1  0.610  0.998  0.776  1.0
  B  B11  1  0.885  0.502  0.724  1.0
  B  B12  1  0.851  0.426  0.426  1.0
  B  B13  1  0.885  0.724  0.502  1.0
  B  B14  1  0.154  0.677  0.327  1.0
  B  B15  1  0.657  0.823  0.173  1.0
  B  B16  1  0.343  0.177  0.827  1.0
  B  B17  1  0.202  0.074  0.074  1.0
  B  B18  1  0.610  0.776  0.998  1.0
  B  B19  1  0.846  0.673  0.323  1.0
  B  B20  1  0.846  0.323  0.673  1.0
  B  B21  1  0.115  0.276  0.498  1.0
  B  B22  1  0.341  0.931  0.931  1.0
  B  B23  1  0.702  0.569  0.569  1.0
  B  B24  1  0.657  0.173  0.823  1.0
  B  B25  1  0.390  0.002  0.224  1.0
  B  B26  1  0.154  0.327  0.677  1.0
  B  B27  1  0.659  0.069  0.069  1.0
  B  B28  1  0.298  0.431  0.431  1.0
  B  B29  1  0.390  0.224  0.002  1.0
  B  B30  1  0.798  0.926  0.926  1.0
  B  B31  1  0.343  0.827  0.177  1.0
[/CIF]
.