The crystal structure described by Cs2PdH4 crystallizes in the tetragonal P4_2/mnm space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. Pd(1) is bonded in a square co-planar geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Cs(1) and one Pd(1) atom to form a mixture of edge, face, and corner-sharing HCs4Pd square pyramids. In the second H site, H(2) is bonded to four equivalent Cs(1) and one Pd(1) atom to form a mixture of edge, face, and corner-sharing HCs4Pd square pyramids. is represented by the CIF file [CIF]
data_Cs2H4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.273
_cell_length_b   6.273
_cell_length_c   8.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.222
_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
  Cs  Cs0  1  0.500  0.000  0.250  1.0
  Cs  Cs1  1  0.000  0.500  0.250  1.0
  Cs  Cs2  1  0.500  0.000  0.750  1.0
  Cs  Cs3  1  0.000  0.500  0.750  1.0
  H  H4  1  0.188  0.188  0.000  1.0
  H  H5  1  0.812  0.812  0.000  1.0
  H  H6  1  0.000  0.000  0.185  1.0
  H  H7  1  0.500  0.500  0.315  1.0
  H  H8  1  0.688  0.312  0.500  1.0
  H  H9  1  0.312  0.688  0.500  1.0
  H  H10  1  0.500  0.500  0.685  1.0
  H  H11  1  0.000  0.000  0.815  1.0
  Pd  Pd12  1  0.000  0.000  0.000  1.0
  Pd  Pd13  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Cs2PdH4 crystallizes in the tetragonal P4_2/mnm space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. Pd(1) is bonded in a square co-planar geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Cs(1) and one Pd(1) atom to form a mixture of edge, face, and corner-sharing HCs4Pd square pyramids. In the second H site, H(2) is bonded to four equivalent Cs(1) and one Pd(1) atom to form a mixture of edge, face, and corner-sharing HCs4Pd square pyramids. is represented by the CIF file [CIF]
data_Cs2H4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.273
_cell_length_b   6.273
_cell_length_c   8.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.222
_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
  Cs  Cs0  1  0.500  0.000  0.250  1.0
  Cs  Cs1  1  0.000  0.500  0.250  1.0
  Cs  Cs2  1  0.500  0.000  0.750  1.0
  Cs  Cs3  1  0.000  0.500  0.750  1.0
  H  H4  1  0.188  0.188  0.000  1.0
  H  H5  1  0.812  0.812  0.000  1.0
  H  H6  1  0.000  0.000  0.185  1.0
  H  H7  1  0.500  0.500  0.315  1.0
  H  H8  1  0.688  0.312  0.500  1.0
  H  H9  1  0.312  0.688  0.500  1.0
  H  H10  1  0.500  0.500  0.685  1.0
  H  H11  1  0.000  0.000  0.815  1.0
  Pd  Pd12  1  0.000  0.000  0.000  1.0
  Pd  Pd13  1  0.500  0.500  0.500  1.0
[/CIF]
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