The crystal structure described by ZrSOCl6 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ZrSOCl6 clusters. Zr(1) is bonded to one O(1), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms to form edge-sharing ZrCl5O octahedra. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one Cl(5), and one Cl(6) atom. O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one S(1) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Zr(1) atoms. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Zr(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Zr(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one S(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_ZrSCl6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.331
_cell_length_b   6.924
_cell_length_c   7.574
_cell_angle_alpha   65.793
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1068.250
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.425  0.003  0.343  1.0
  Zr  Zr1  1  0.075  0.003  0.843  1.0
  Zr  Zr2  1  0.575  0.997  0.657  1.0
  Zr  Zr3  1  0.925  0.997  0.157  1.0
  S  S4  1  0.359  0.625  0.823  1.0
  S  S5  1  0.141  0.625  0.323  1.0
  S  S6  1  0.641  0.375  0.177  1.0
  S  S7  1  0.859  0.375  0.677  1.0
  Cl  Cl8  1  0.466  0.240  0.047  1.0
  Cl  Cl9  1  0.034  0.240  0.547  1.0
  Cl  Cl10  1  0.534  0.760  0.953  1.0
  Cl  Cl11  1  0.966  0.760  0.453  1.0
  Cl  Cl12  1  0.526  0.798  0.462  1.0
  Cl  Cl13  1  0.974  0.798  0.962  1.0
  Cl  Cl14  1  0.474  0.202  0.538  1.0
  Cl  Cl15  1  0.026  0.202  0.038  1.0
  Cl  Cl16  1  0.333  0.186  0.324  1.0
  Cl  Cl17  1  0.167  0.186  0.824  1.0
  Cl  Cl18  1  0.667  0.814  0.676  1.0
  Cl  Cl19  1  0.833  0.814  0.176  1.0
  Cl  Cl20  1  0.389  0.742  0.241  1.0
  Cl  Cl21  1  0.111  0.742  0.741  1.0
  Cl  Cl22  1  0.611  0.258  0.759  1.0
  Cl  Cl23  1  0.889  0.258  0.259  1.0
  Cl  Cl24  1  0.280  0.785  0.819  1.0
  Cl  Cl25  1  0.220  0.785  0.319  1.0
  Cl  Cl26  1  0.720  0.215  0.181  1.0
  Cl  Cl27  1  0.780  0.215  0.681  1.0
  Cl  Cl28  1  0.325  0.398  0.738  1.0
  Cl  Cl29  1  0.175  0.398  0.238  1.0
  Cl  Cl30  1  0.675  0.602  0.262  1.0
  Cl  Cl31  1  0.825  0.602  0.762  1.0
  O  O32  1  0.396  0.770  0.660  1.0
  O  O33  1  0.104  0.770  0.160  1.0
  O  O34  1  0.604  0.230  0.340  1.0
  O  O35  1  0.896  0.230  0.840  1.0
[/CIF]
.
The crystal structure described by ZrSOCl6 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ZrSOCl6 clusters. Zr(1) is bonded to one O(1), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms to form edge-sharing ZrCl5O octahedra. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one Cl(5), and one Cl(6) atom. O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one S(1) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Zr(1) atoms. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Zr(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Zr(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one S(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_ZrSCl6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.331
_cell_length_b   6.924
_cell_length_c   7.574
_cell_angle_alpha   65.793
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1068.250
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.425  0.003  0.343  1.0
  Zr  Zr1  1  0.075  0.003  0.843  1.0
  Zr  Zr2  1  0.575  0.997  0.657  1.0
  Zr  Zr3  1  0.925  0.997  0.157  1.0
  S  S4  1  0.359  0.625  0.823  1.0
  S  S5  1  0.141  0.625  0.323  1.0
  S  S6  1  0.641  0.375  0.177  1.0
  S  S7  1  0.859  0.375  0.677  1.0
  Cl  Cl8  1  0.466  0.240  0.047  1.0
  Cl  Cl9  1  0.034  0.240  0.547  1.0
  Cl  Cl10  1  0.534  0.760  0.953  1.0
  Cl  Cl11  1  0.966  0.760  0.453  1.0
  Cl  Cl12  1  0.526  0.798  0.462  1.0
  Cl  Cl13  1  0.974  0.798  0.962  1.0
  Cl  Cl14  1  0.474  0.202  0.538  1.0
  Cl  Cl15  1  0.026  0.202  0.038  1.0
  Cl  Cl16  1  0.333  0.186  0.324  1.0
  Cl  Cl17  1  0.167  0.186  0.824  1.0
  Cl  Cl18  1  0.667  0.814  0.676  1.0
  Cl  Cl19  1  0.833  0.814  0.176  1.0
  Cl  Cl20  1  0.389  0.742  0.241  1.0
  Cl  Cl21  1  0.111  0.742  0.741  1.0
  Cl  Cl22  1  0.611  0.258  0.759  1.0
  Cl  Cl23  1  0.889  0.258  0.259  1.0
  Cl  Cl24  1  0.280  0.785  0.819  1.0
  Cl  Cl25  1  0.220  0.785  0.319  1.0
  Cl  Cl26  1  0.720  0.215  0.181  1.0
  Cl  Cl27  1  0.780  0.215  0.681  1.0
  Cl  Cl28  1  0.325  0.398  0.738  1.0
  Cl  Cl29  1  0.175  0.398  0.238  1.0
  Cl  Cl30  1  0.675  0.602  0.262  1.0
  Cl  Cl31  1  0.825  0.602  0.762  1.0
  O  O32  1  0.396  0.770  0.660  1.0
  O  O33  1  0.104  0.770  0.160  1.0
  O  O34  1  0.604  0.230  0.340  1.0
  O  O35  1  0.896  0.230  0.840  1.0
[/CIF]
.