The compound described by PCl4ICl2 is beta-prime cadmium gold structured and crystallizes in the tetragonal P-42_1m space group. The structure is zero-dimensional and consists of two [pcl4]+1 molecules and two ICl2 clusters. In each ICl2 cluster, I(1) is bonded in a linear geometry to two equivalent Cl(1) atoms. Cl(1) is bonded in a single-bond geometry to one I(1) atom. is represented by the CIF file [CIF]
data_PICl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.681
_cell_length_b   9.551
_cell_length_c   9.551
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.173
_cell_formula_units_Z   2
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
  P  P0  1  0.500  0.000  0.000  1.0
  P  P1  1  0.500  0.500  0.500  1.0
  I  I2  1  0.150  0.000  0.500  1.0
  I  I3  1  0.850  0.500  0.000  1.0
  Cl  Cl4  1  0.853  0.310  0.190  1.0
  Cl  Cl5  1  0.704  0.084  0.859  1.0
  Cl  Cl6  1  0.147  0.190  0.690  1.0
  Cl  Cl7  1  0.853  0.690  0.810  1.0
  Cl  Cl8  1  0.704  0.359  0.584  1.0
  Cl  Cl9  1  0.147  0.810  0.310  1.0
  Cl  Cl10  1  0.296  0.584  0.641  1.0
  Cl  Cl11  1  0.296  0.141  0.084  1.0
  Cl  Cl12  1  0.296  0.416  0.359  1.0
  Cl  Cl13  1  0.704  0.641  0.416  1.0
  Cl  Cl14  1  0.296  0.859  0.916  1.0
  Cl  Cl15  1  0.704  0.916  0.141  1.0
[/CIF]
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The compound described by PCl4ICl2 is beta-prime cadmium gold structured and crystallizes in the tetragonal P-42_1m space group. The structure is zero-dimensional and consists of two [pcl4]+1 molecules and two ICl2 clusters. In each ICl2 cluster, I(1) is bonded in a linear geometry to two equivalent Cl(1) atoms. Cl(1) is bonded in a single-bond geometry to one I(1) atom. is represented by the CIF file [CIF]
data_PICl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.681
_cell_length_b   9.551
_cell_length_c   9.551
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.173
_cell_formula_units_Z   2
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
  P  P0  1  0.500  0.000  0.000  1.0
  P  P1  1  0.500  0.500  0.500  1.0
  I  I2  1  0.150  0.000  0.500  1.0
  I  I3  1  0.850  0.500  0.000  1.0
  Cl  Cl4  1  0.853  0.310  0.190  1.0
  Cl  Cl5  1  0.704  0.084  0.859  1.0
  Cl  Cl6  1  0.147  0.190  0.690  1.0
  Cl  Cl7  1  0.853  0.690  0.810  1.0
  Cl  Cl8  1  0.704  0.359  0.584  1.0
  Cl  Cl9  1  0.147  0.810  0.310  1.0
  Cl  Cl10  1  0.296  0.584  0.641  1.0
  Cl  Cl11  1  0.296  0.141  0.084  1.0
  Cl  Cl12  1  0.296  0.416  0.359  1.0
  Cl  Cl13  1  0.704  0.641  0.416  1.0
  Cl  Cl14  1  0.296  0.859  0.916  1.0
  Cl  Cl15  1  0.704  0.916  0.141  1.0
[/CIF]
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