The compound described by Cs2PdHgCl6 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent Cl(1) and eight equivalent Cl(2) atoms to form a mixture of face and corner-sharing CsCl12 cuboctahedra. Pd(1) is bonded in a square co-planar geometry to four equivalent Cl(2) atoms. Hg(1) is bonded in a distorted linear geometry to two equivalent Cl(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Hg(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Pd(1) atom. is represented by the CIF file [CIF]
data_Cs2HgPdCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.747
_cell_length_c   7.747
_cell_angle_alpha   121.005
_cell_angle_beta   121.005
_cell_angle_gamma   88.268
_symmetry_Int_Tables_number   1
_cell_volume   323.661
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Hg  Hg2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.713  0.713  0.000  1.0
  Cl  Cl5  1  0.287  0.287  0.000  1.0
  Cl  Cl6  1  0.217  0.217  0.434  1.0
  Cl  Cl7  1  0.783  0.783  0.566  1.0
  Cl  Cl8  1  0.217  0.783  0.000  1.0
  Cl  Cl9  1  0.783  0.217  0.000  1.0
[/CIF]
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The compound described by Cs2PdHgCl6 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent Cl(1) and eight equivalent Cl(2) atoms to form a mixture of face and corner-sharing CsCl12 cuboctahedra. Pd(1) is bonded in a square co-planar geometry to four equivalent Cl(2) atoms. Hg(1) is bonded in a distorted linear geometry to two equivalent Cl(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Hg(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Pd(1) atom. is represented by the CIF file [CIF]
data_Cs2HgPdCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.747
_cell_length_c   7.747
_cell_angle_alpha   121.005
_cell_angle_beta   121.005
_cell_angle_gamma   88.268
_symmetry_Int_Tables_number   1
_cell_volume   323.661
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Hg  Hg2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.713  0.713  0.000  1.0
  Cl  Cl5  1  0.287  0.287  0.000  1.0
  Cl  Cl6  1  0.217  0.217  0.434  1.0
  Cl  Cl7  1  0.783  0.783  0.566  1.0
  Cl  Cl8  1  0.217  0.783  0.000  1.0
  Cl  Cl9  1  0.783  0.217  0.000  1.0
[/CIF]
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