The material structure described by SiCCl3 is beta Polonium structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two SiCCl3 clusters. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one C(1), one Cl(1), one Cl(2), and one Cl(3) atom to form corner-sharing SiCCl3 tetrahedra. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one C(2), one Cl(5), and two equivalent Cl(4) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to two equivalent Si(1) and one C(3) atom. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one Si(2), one C(2), and one C(3) atom. In the third C site, C(3) is bonded in a linear geometry to one C(1) and one C(2) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a single-bond geometry to one Si(1) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one Si(2) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one Si(2) atom. In the fourth Cl site, Cl(1) is bonded in a single-bond geometry to one Si(1) atom. In the fifth Cl site, Cl(2) is bonded in a single-bond geometry to one Si(1) atom. is represented by the CIF file [CIF]
data_SiCCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.597
_cell_length_b   9.597
_cell_length_c   9.654
_cell_angle_alpha   84.014
_cell_angle_beta   84.014
_cell_angle_gamma   101.055
_symmetry_Int_Tables_number   1
_cell_volume   860.705
_cell_formula_units_Z   6
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  0.407  0.182  0.243  1.0
  Si  Si1  1  0.593  0.818  0.757  1.0
  Si  Si2  1  0.818  0.593  0.757  1.0
  Si  Si3  1  0.182  0.407  0.243  1.0
  Si  Si4  1  0.895  0.895  0.314  1.0
  Si  Si5  1  0.105  0.105  0.686  1.0
  C  C6  1  0.768  0.768  0.696  1.0
  C  C7  1  0.232  0.232  0.304  1.0
  C  C8  1  0.940  0.940  0.492  1.0
  C  C9  1  0.060  0.060  0.508  1.0
  C  C10  1  0.856  0.856  0.598  1.0
  C  C11  1  0.144  0.144  0.402  1.0
  Cl  Cl12  1  0.439  0.186  0.031  1.0
  Cl  Cl13  1  0.561  0.814  0.969  1.0
  Cl  Cl14  1  0.814  0.561  0.969  1.0
  Cl  Cl15  1  0.186  0.439  0.031  1.0
  Cl  Cl16  1  0.573  0.321  0.302  1.0
  Cl  Cl17  1  0.427  0.679  0.698  1.0
  Cl  Cl18  1  0.679  0.427  0.698  1.0
  Cl  Cl19  1  0.321  0.573  0.302  1.0
  Cl  Cl20  1  0.413  0.981  0.333  1.0
  Cl  Cl21  1  0.587  0.019  0.667  1.0
  Cl  Cl22  1  0.019  0.587  0.667  1.0
  Cl  Cl23  1  0.981  0.413  0.333  1.0
  Cl  Cl24  1  0.842  0.065  0.202  1.0
  Cl  Cl25  1  0.158  0.935  0.798  1.0
  Cl  Cl26  1  0.935  0.158  0.798  1.0
  Cl  Cl27  1  0.065  0.842  0.202  1.0
  Cl  Cl28  1  0.726  0.726  0.332  1.0
  Cl  Cl29  1  0.274  0.274  0.668  1.0
[/CIF]
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The material structure described by SiCCl3 is beta Polonium structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two SiCCl3 clusters. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one C(1), one Cl(1), one Cl(2), and one Cl(3) atom to form corner-sharing SiCCl3 tetrahedra. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one C(2), one Cl(5), and two equivalent Cl(4) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to two equivalent Si(1) and one C(3) atom. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one Si(2), one C(2), and one C(3) atom. In the third C site, C(3) is bonded in a linear geometry to one C(1) and one C(2) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a single-bond geometry to one Si(1) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one Si(2) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one Si(2) atom. In the fourth Cl site, Cl(1) is bonded in a single-bond geometry to one Si(1) atom. In the fifth Cl site, Cl(2) is bonded in a single-bond geometry to one Si(1) atom. is represented by the CIF file [CIF]
data_SiCCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.597
_cell_length_b   9.597
_cell_length_c   9.654
_cell_angle_alpha   84.014
_cell_angle_beta   84.014
_cell_angle_gamma   101.055
_symmetry_Int_Tables_number   1
_cell_volume   860.705
_cell_formula_units_Z   6
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  0.407  0.182  0.243  1.0
  Si  Si1  1  0.593  0.818  0.757  1.0
  Si  Si2  1  0.818  0.593  0.757  1.0
  Si  Si3  1  0.182  0.407  0.243  1.0
  Si  Si4  1  0.895  0.895  0.314  1.0
  Si  Si5  1  0.105  0.105  0.686  1.0
  C  C6  1  0.768  0.768  0.696  1.0
  C  C7  1  0.232  0.232  0.304  1.0
  C  C8  1  0.940  0.940  0.492  1.0
  C  C9  1  0.060  0.060  0.508  1.0
  C  C10  1  0.856  0.856  0.598  1.0
  C  C11  1  0.144  0.144  0.402  1.0
  Cl  Cl12  1  0.439  0.186  0.031  1.0
  Cl  Cl13  1  0.561  0.814  0.969  1.0
  Cl  Cl14  1  0.814  0.561  0.969  1.0
  Cl  Cl15  1  0.186  0.439  0.031  1.0
  Cl  Cl16  1  0.573  0.321  0.302  1.0
  Cl  Cl17  1  0.427  0.679  0.698  1.0
  Cl  Cl18  1  0.679  0.427  0.698  1.0
  Cl  Cl19  1  0.321  0.573  0.302  1.0
  Cl  Cl20  1  0.413  0.981  0.333  1.0
  Cl  Cl21  1  0.587  0.019  0.667  1.0
  Cl  Cl22  1  0.019  0.587  0.667  1.0
  Cl  Cl23  1  0.981  0.413  0.333  1.0
  Cl  Cl24  1  0.842  0.065  0.202  1.0
  Cl  Cl25  1  0.158  0.935  0.798  1.0
  Cl  Cl26  1  0.935  0.158  0.798  1.0
  Cl  Cl27  1  0.065  0.842  0.202  1.0
  Cl  Cl28  1  0.726  0.726  0.332  1.0
  Cl  Cl29  1  0.274  0.274  0.668  1.0
[/CIF]
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