The material described by COCl2 is Indium-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of sixteen phosgene molecules. C(1) is bonded in a trigonal planar geometry to one O(1), one Cl(1), and one Cl(2) atom. O(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one C(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF file [CIF]
data_CCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.634
_cell_length_b   11.634
_cell_length_c   11.634
_cell_angle_alpha   93.407
_cell_angle_beta   93.409
_cell_angle_gamma   151.774
_symmetry_Int_Tables_number   1
_cell_volume   722.275
_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
  C  C0  1  0.021  0.011  0.268  1.0
  C  C1  1  0.261  0.494  0.491  1.0
  C  C2  1  0.003  0.771  0.509  1.0
  C  C3  1  0.744  0.753  0.732  1.0
  C  C4  1  0.229  0.739  0.232  1.0
  C  C5  1  0.989  0.256  0.009  1.0
  C  C6  1  0.247  0.979  0.991  1.0
  C  C7  1  0.506  0.997  0.768  1.0
  Cl  Cl8  1  0.831  0.764  0.149  1.0
  Cl  Cl9  1  0.014  0.365  0.433  1.0
  Cl  Cl10  1  0.932  0.581  0.567  1.0
  Cl  Cl11  1  0.615  0.682  0.851  1.0
  Cl  Cl12  1  0.419  0.986  0.351  1.0
  Cl  Cl13  1  0.236  0.385  0.067  1.0
  Cl  Cl14  1  0.318  0.169  0.933  1.0
  Cl  Cl15  1  0.635  0.068  0.649  1.0
  Cl  Cl16  1  0.324  0.232  0.301  1.0
  Cl  Cl17  1  0.482  0.680  0.407  1.0
  Cl  Cl18  1  0.273  0.074  0.593  1.0
  Cl  Cl19  1  0.930  0.023  0.699  1.0
  Cl  Cl20  1  0.926  0.518  0.199  1.0
  Cl  Cl21  1  0.768  0.070  0.093  1.0
  Cl  Cl22  1  0.977  0.676  0.907  1.0
  Cl  Cl23  1  0.320  0.727  0.801  1.0
  O  O24  1  0.947  0.026  0.319  1.0
  O  O25  1  0.276  0.457  0.579  1.0
  O  O26  1  0.879  0.697  0.421  1.0
  O  O27  1  0.707  0.629  0.681  1.0
  O  O28  1  0.303  0.724  0.181  1.0
  O  O29  1  0.974  0.293  0.921  1.0
  O  O30  1  0.371  0.053  0.079  1.0
  O  O31  1  0.543  0.121  0.819  1.0
[/CIF]
.
The material described by COCl2 is Indium-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of sixteen phosgene molecules. C(1) is bonded in a trigonal planar geometry to one O(1), one Cl(1), and one Cl(2) atom. O(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one C(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF file [CIF]
data_CCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.634
_cell_length_b   11.634
_cell_length_c   11.634
_cell_angle_alpha   93.407
_cell_angle_beta   93.409
_cell_angle_gamma   151.774
_symmetry_Int_Tables_number   1
_cell_volume   722.275
_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
  C  C0  1  0.021  0.011  0.268  1.0
  C  C1  1  0.261  0.494  0.491  1.0
  C  C2  1  0.003  0.771  0.509  1.0
  C  C3  1  0.744  0.753  0.732  1.0
  C  C4  1  0.229  0.739  0.232  1.0
  C  C5  1  0.989  0.256  0.009  1.0
  C  C6  1  0.247  0.979  0.991  1.0
  C  C7  1  0.506  0.997  0.768  1.0
  Cl  Cl8  1  0.831  0.764  0.149  1.0
  Cl  Cl9  1  0.014  0.365  0.433  1.0
  Cl  Cl10  1  0.932  0.581  0.567  1.0
  Cl  Cl11  1  0.615  0.682  0.851  1.0
  Cl  Cl12  1  0.419  0.986  0.351  1.0
  Cl  Cl13  1  0.236  0.385  0.067  1.0
  Cl  Cl14  1  0.318  0.169  0.933  1.0
  Cl  Cl15  1  0.635  0.068  0.649  1.0
  Cl  Cl16  1  0.324  0.232  0.301  1.0
  Cl  Cl17  1  0.482  0.680  0.407  1.0
  Cl  Cl18  1  0.273  0.074  0.593  1.0
  Cl  Cl19  1  0.930  0.023  0.699  1.0
  Cl  Cl20  1  0.926  0.518  0.199  1.0
  Cl  Cl21  1  0.768  0.070  0.093  1.0
  Cl  Cl22  1  0.977  0.676  0.907  1.0
  Cl  Cl23  1  0.320  0.727  0.801  1.0
  O  O24  1  0.947  0.026  0.319  1.0
  O  O25  1  0.276  0.457  0.579  1.0
  O  O26  1  0.879  0.697  0.421  1.0
  O  O27  1  0.707  0.629  0.681  1.0
  O  O28  1  0.303  0.724  0.181  1.0
  O  O29  1  0.974  0.293  0.921  1.0
  O  O30  1  0.371  0.053  0.079  1.0
  O  O31  1  0.543  0.121  0.819  1.0
[/CIF]
.