The compound described by SiOCl2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hexachlorocyclotrisiloxane molecules. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one Cl(5), and one Cl(6) atom to form corner-sharing SiCl2O2 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one Cl(1), and one Cl(2) atom to form corner-sharing SiCl2O2 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(2), one Cl(3), and one Cl(4) atom to form corner-sharing SiCl2O2 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Si(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Si(2) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Si(3) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Si(3) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Si(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.794
_cell_length_b   9.131
_cell_length_c   11.804
_cell_angle_alpha   78.045
_cell_angle_beta   77.781
_cell_angle_gamma   73.366
_symmetry_Int_Tables_number   1
_cell_volume   677.314
_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  0.452  0.176  0.711  1.0
  Si  Si1  1  0.548  0.824  0.289  1.0
  Si  Si2  1  0.485  0.273  0.932  1.0
  Si  Si3  1  0.490  0.496  0.706  1.0
  Si  Si4  1  0.510  0.504  0.294  1.0
  Si  Si5  1  0.515  0.727  0.068  1.0
  Cl  Cl6  1  0.236  0.300  0.062  1.0
  Cl  Cl7  1  0.764  0.700  0.938  1.0
  Cl  Cl8  1  0.751  0.189  0.002  1.0
  Cl  Cl9  1  0.249  0.811  0.998  1.0
  Cl  Cl10  1  0.248  0.683  0.678  1.0
  Cl  Cl11  1  0.752  0.317  0.322  1.0
  Cl  Cl12  1  0.762  0.552  0.630  1.0
  Cl  Cl13  1  0.238  0.448  0.370  1.0
  Cl  Cl14  1  0.824  0.855  0.306  1.0
  Cl  Cl15  1  0.176  0.145  0.694  1.0
  Cl  Cl16  1  0.688  0.019  0.631  1.0
  Cl  Cl17  1  0.312  0.981  0.369  1.0
  O  O18  1  0.488  0.440  0.848  1.0
  O  O19  1  0.512  0.560  0.152  1.0
  O  O20  1  0.468  0.352  0.651  1.0
  O  O21  1  0.532  0.648  0.349  1.0
  O  O22  1  0.469  0.153  0.850  1.0
  O  O23  1  0.531  0.847  0.150  1.0
[/CIF]
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The compound described by SiOCl2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hexachlorocyclotrisiloxane molecules. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one Cl(5), and one Cl(6) atom to form corner-sharing SiCl2O2 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one Cl(1), and one Cl(2) atom to form corner-sharing SiCl2O2 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(2), one Cl(3), and one Cl(4) atom to form corner-sharing SiCl2O2 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Si(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Si(2) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Si(3) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Si(3) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Si(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.794
_cell_length_b   9.131
_cell_length_c   11.804
_cell_angle_alpha   78.045
_cell_angle_beta   77.781
_cell_angle_gamma   73.366
_symmetry_Int_Tables_number   1
_cell_volume   677.314
_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  0.452  0.176  0.711  1.0
  Si  Si1  1  0.548  0.824  0.289  1.0
  Si  Si2  1  0.485  0.273  0.932  1.0
  Si  Si3  1  0.490  0.496  0.706  1.0
  Si  Si4  1  0.510  0.504  0.294  1.0
  Si  Si5  1  0.515  0.727  0.068  1.0
  Cl  Cl6  1  0.236  0.300  0.062  1.0
  Cl  Cl7  1  0.764  0.700  0.938  1.0
  Cl  Cl8  1  0.751  0.189  0.002  1.0
  Cl  Cl9  1  0.249  0.811  0.998  1.0
  Cl  Cl10  1  0.248  0.683  0.678  1.0
  Cl  Cl11  1  0.752  0.317  0.322  1.0
  Cl  Cl12  1  0.762  0.552  0.630  1.0
  Cl  Cl13  1  0.238  0.448  0.370  1.0
  Cl  Cl14  1  0.824  0.855  0.306  1.0
  Cl  Cl15  1  0.176  0.145  0.694  1.0
  Cl  Cl16  1  0.688  0.019  0.631  1.0
  Cl  Cl17  1  0.312  0.981  0.369  1.0
  O  O18  1  0.488  0.440  0.848  1.0
  O  O19  1  0.512  0.560  0.152  1.0
  O  O20  1  0.468  0.352  0.651  1.0
  O  O21  1  0.532  0.648  0.349  1.0
  O  O22  1  0.469  0.153  0.850  1.0
  O  O23  1  0.531  0.847  0.150  1.0
[/CIF]
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