The crystal structure described by CsPdCl3 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), four equivalent Cl(2), and four equivalent Cl(3) atoms. Pd(1) is bonded in a rectangular see-saw-like geometry to one Cl(2), one Cl(3), and two equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1) and two equivalent Pd(1) atoms. 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. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsPdCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.731
_cell_length_b   9.731
_cell_length_c   9.731
_cell_angle_alpha   127.059
_cell_angle_beta   113.764
_cell_angle_gamma   89.678
_symmetry_Int_Tables_number   1
_cell_volume   636.523
_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
  Cs  Cs0  1  0.176  0.426  0.250  1.0
  Cs  Cs1  1  0.824  0.074  0.250  1.0
  Cs  Cs2  1  0.824  0.574  0.750  1.0
  Cs  Cs3  1  0.176  0.926  0.750  1.0
  Pd  Pd4  1  0.594  0.948  0.646  1.0
  Pd  Pd5  1  0.406  0.052  0.354  1.0
  Pd  Pd6  1  0.697  0.552  0.146  1.0
  Pd  Pd7  1  0.303  0.448  0.854  1.0
  Cl  Cl8  1  0.667  0.105  0.562  1.0
  Cl  Cl9  1  0.333  0.895  0.438  1.0
  Cl  Cl10  1  0.457  0.395  0.062  1.0
  Cl  Cl11  1  0.543  0.605  0.938  1.0
  Cl  Cl12  1  0.852  0.004  0.847  1.0
  Cl  Cl13  1  0.148  0.996  0.153  1.0
  Cl  Cl14  1  0.843  0.496  0.347  1.0
  Cl  Cl15  1  0.157  0.504  0.653  1.0
  Cl  Cl16  1  0.073  0.292  0.781  1.0
  Cl  Cl17  1  0.927  0.708  0.219  1.0
  Cl  Cl18  1  0.490  0.208  0.281  1.0
  Cl  Cl19  1  0.510  0.792  0.719  1.0
[/CIF]
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The crystal structure described by CsPdCl3 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), four equivalent Cl(2), and four equivalent Cl(3) atoms. Pd(1) is bonded in a rectangular see-saw-like geometry to one Cl(2), one Cl(3), and two equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1) and two equivalent Pd(1) atoms. 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. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsPdCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.731
_cell_length_b   9.731
_cell_length_c   9.731
_cell_angle_alpha   127.059
_cell_angle_beta   113.764
_cell_angle_gamma   89.678
_symmetry_Int_Tables_number   1
_cell_volume   636.523
_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
  Cs  Cs0  1  0.176  0.426  0.250  1.0
  Cs  Cs1  1  0.824  0.074  0.250  1.0
  Cs  Cs2  1  0.824  0.574  0.750  1.0
  Cs  Cs3  1  0.176  0.926  0.750  1.0
  Pd  Pd4  1  0.594  0.948  0.646  1.0
  Pd  Pd5  1  0.406  0.052  0.354  1.0
  Pd  Pd6  1  0.697  0.552  0.146  1.0
  Pd  Pd7  1  0.303  0.448  0.854  1.0
  Cl  Cl8  1  0.667  0.105  0.562  1.0
  Cl  Cl9  1  0.333  0.895  0.438  1.0
  Cl  Cl10  1  0.457  0.395  0.062  1.0
  Cl  Cl11  1  0.543  0.605  0.938  1.0
  Cl  Cl12  1  0.852  0.004  0.847  1.0
  Cl  Cl13  1  0.148  0.996  0.153  1.0
  Cl  Cl14  1  0.843  0.496  0.347  1.0
  Cl  Cl15  1  0.157  0.504  0.653  1.0
  Cl  Cl16  1  0.073  0.292  0.781  1.0
  Cl  Cl17  1  0.927  0.708  0.219  1.0
  Cl  Cl18  1  0.490  0.208  0.281  1.0
  Cl  Cl19  1  0.510  0.792  0.719  1.0
[/CIF]
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