The compound described by Cs2PdI6 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a distorted body-centered cubic geometry to eight equivalent I(1) atoms. Pd(1) is bonded in an octahedral geometry to two equivalent I(2) and four equivalent I(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to four equivalent Cs(1) and one Pd(1) atom to form a mixture of distorted edge, face, and corner-sharing ICs4Pd square pyramids. In the second I site, I(2) is bonded in a linear geometry to one Pd(1) and one I(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2PdI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.924
_cell_length_b   7.924
_cell_length_c   7.925
_cell_angle_alpha   109.821
_cell_angle_beta   109.824
_cell_angle_gamma   108.772
_symmetry_Int_Tables_number   1
_cell_volume   383.066
_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
  Pd  Pd2  1  0.000  0.000  0.000  1.0
  I  I3  1  0.794  0.206  1.000  1.0
  I  I4  1  0.345  0.345  1.000  1.0
  I  I5  1  0.794  0.794  0.589  1.0
  I  I6  1  0.206  0.794  0.000  1.0
  I  I7  1  0.206  0.206  0.411  1.0
  I  I8  1  0.655  0.655  0.000  1.0
[/CIF]
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The compound described by Cs2PdI6 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a distorted body-centered cubic geometry to eight equivalent I(1) atoms. Pd(1) is bonded in an octahedral geometry to two equivalent I(2) and four equivalent I(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to four equivalent Cs(1) and one Pd(1) atom to form a mixture of distorted edge, face, and corner-sharing ICs4Pd square pyramids. In the second I site, I(2) is bonded in a linear geometry to one Pd(1) and one I(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2PdI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.924
_cell_length_b   7.924
_cell_length_c   7.925
_cell_angle_alpha   109.821
_cell_angle_beta   109.824
_cell_angle_gamma   108.772
_symmetry_Int_Tables_number   1
_cell_volume   383.066
_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
  Pd  Pd2  1  0.000  0.000  0.000  1.0
  I  I3  1  0.794  0.206  1.000  1.0
  I  I4  1  0.345  0.345  1.000  1.0
  I  I5  1  0.794  0.794  0.589  1.0
  I  I6  1  0.206  0.794  0.000  1.0
  I  I7  1  0.206  0.206  0.411  1.0
  I  I8  1  0.655  0.655  0.000  1.0
[/CIF]
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