The material described by SiI3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexaiododisilane molecules. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted tetrahedral geometry to one Si(2), one I(3), and two equivalent I(1) atoms. In the second Si site, Si(2) is bonded in a distorted tetrahedral geometry to one Si(1), one I(2), and two equivalent I(4) atoms. There are four inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Si(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Si(2) atom. In the third I site, I(3) is bonded in a single-bond geometry to one Si(1) atom. In the fourth I site, I(4) is bonded in a single-bond geometry to one Si(2) atom. is represented by the CIF file [CIF]
data_SiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.090
_cell_length_b   12.806
_cell_length_c   14.084
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1459.138
_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  0.275  0.750  0.395  1.0
  Si  Si1  1  0.775  0.250  0.105  1.0
  Si  Si2  1  0.725  0.250  0.605  1.0
  Si  Si3  1  0.225  0.750  0.895  1.0
  Si  Si4  1  0.556  0.750  0.352  1.0
  Si  Si5  1  0.056  0.250  0.148  1.0
  Si  Si6  1  0.444  0.250  0.648  1.0
  Si  Si7  1  0.944  0.750  0.852  1.0
  I  I8  1  0.276  0.592  0.988  1.0
  I  I9  1  0.776  0.408  0.512  1.0
  I  I10  1  0.724  0.092  0.012  1.0
  I  I11  1  0.224  0.908  0.488  1.0
  I  I12  1  0.724  0.408  0.012  1.0
  I  I13  1  0.224  0.592  0.488  1.0
  I  I14  1  0.276  0.908  0.988  1.0
  I  I15  1  0.776  0.092  0.512  1.0
  I  I16  1  0.782  0.750  0.998  1.0
  I  I17  1  0.282  0.250  0.502  1.0
  I  I18  1  0.218  0.250  0.002  1.0
  I  I19  1  0.718  0.750  0.498  1.0
  I  I20  1  0.392  0.750  0.751  1.0
  I  I21  1  0.892  0.250  0.749  1.0
  I  I22  1  0.608  0.250  0.249  1.0
  I  I23  1  0.108  0.750  0.251  1.0
  I  I24  1  0.387  0.093  0.742  1.0
  I  I25  1  0.887  0.907  0.758  1.0
  I  I26  1  0.613  0.593  0.258  1.0
  I  I27  1  0.113  0.407  0.242  1.0
  I  I28  1  0.613  0.907  0.258  1.0
  I  I29  1  0.113  0.093  0.242  1.0
  I  I30  1  0.387  0.407  0.742  1.0
  I  I31  1  0.887  0.593  0.758  1.0
[/CIF]
.
The material described by SiI3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexaiododisilane molecules. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted tetrahedral geometry to one Si(2), one I(3), and two equivalent I(1) atoms. In the second Si site, Si(2) is bonded in a distorted tetrahedral geometry to one Si(1), one I(2), and two equivalent I(4) atoms. There are four inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Si(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Si(2) atom. In the third I site, I(3) is bonded in a single-bond geometry to one Si(1) atom. In the fourth I site, I(4) is bonded in a single-bond geometry to one Si(2) atom. is represented by the CIF file [CIF]
data_SiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.090
_cell_length_b   12.806
_cell_length_c   14.084
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1459.138
_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  0.275  0.750  0.395  1.0
  Si  Si1  1  0.775  0.250  0.105  1.0
  Si  Si2  1  0.725  0.250  0.605  1.0
  Si  Si3  1  0.225  0.750  0.895  1.0
  Si  Si4  1  0.556  0.750  0.352  1.0
  Si  Si5  1  0.056  0.250  0.148  1.0
  Si  Si6  1  0.444  0.250  0.648  1.0
  Si  Si7  1  0.944  0.750  0.852  1.0
  I  I8  1  0.276  0.592  0.988  1.0
  I  I9  1  0.776  0.408  0.512  1.0
  I  I10  1  0.724  0.092  0.012  1.0
  I  I11  1  0.224  0.908  0.488  1.0
  I  I12  1  0.724  0.408  0.012  1.0
  I  I13  1  0.224  0.592  0.488  1.0
  I  I14  1  0.276  0.908  0.988  1.0
  I  I15  1  0.776  0.092  0.512  1.0
  I  I16  1  0.782  0.750  0.998  1.0
  I  I17  1  0.282  0.250  0.502  1.0
  I  I18  1  0.218  0.250  0.002  1.0
  I  I19  1  0.718  0.750  0.498  1.0
  I  I20  1  0.392  0.750  0.751  1.0
  I  I21  1  0.892  0.250  0.749  1.0
  I  I22  1  0.608  0.250  0.249  1.0
  I  I23  1  0.108  0.750  0.251  1.0
  I  I24  1  0.387  0.093  0.742  1.0
  I  I25  1  0.887  0.907  0.758  1.0
  I  I26  1  0.613  0.593  0.258  1.0
  I  I27  1  0.113  0.407  0.242  1.0
  I  I28  1  0.613  0.907  0.258  1.0
  I  I29  1  0.113  0.093  0.242  1.0
  I  I30  1  0.387  0.407  0.742  1.0
  I  I31  1  0.887  0.593  0.758  1.0
[/CIF]
.