The crystal structure described by Rb3PdH5 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a linear geometry to two equivalent H(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent H(1) and six equivalent H(2) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Rb(1) and four equivalent Rb(2) atoms to form corner-sharing HRb6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second H site, H(2) is bonded in a rectangular see-saw-like geometry to three equivalent Rb(2) and one Pd(1) atom. is represented by the CIF card [CIF]
data_Rb3H5Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.829
_cell_length_b   7.829
_cell_length_c   6.110
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.458
_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
  Rb  Rb0  1  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.000  1.0
  Rb  Rb2  1  0.184  0.684  0.500  1.0
  Rb  Rb3  1  0.816  0.316  0.500  1.0
  Rb  Rb4  1  0.684  0.816  0.500  1.0
  Rb  Rb5  1  0.316  0.184  0.500  1.0
  H  H6  1  0.500  0.500  0.500  1.0
  H  H7  1  0.000  0.000  0.500  1.0
  H  H8  1  0.609  0.109  0.812  1.0
  H  H9  1  0.391  0.891  0.812  1.0
  H  H10  1  0.109  0.391  0.812  1.0
  H  H11  1  0.891  0.609  0.812  1.0
  H  H12  1  0.391  0.891  0.188  1.0
  H  H13  1  0.609  0.109  0.188  1.0
  H  H14  1  0.891  0.609  0.188  1.0
  H  H15  1  0.109  0.391  0.188  1.0
  Pd  Pd16  1  0.500  0.000  0.000  1.0
  Pd  Pd17  1  0.000  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Rb3PdH5 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a linear geometry to two equivalent H(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent H(1) and six equivalent H(2) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Rb(1) and four equivalent Rb(2) atoms to form corner-sharing HRb6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second H site, H(2) is bonded in a rectangular see-saw-like geometry to three equivalent Rb(2) and one Pd(1) atom. is represented by the CIF card [CIF]
data_Rb3H5Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.829
_cell_length_b   7.829
_cell_length_c   6.110
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.458
_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
  Rb  Rb0  1  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.000  1.0
  Rb  Rb2  1  0.184  0.684  0.500  1.0
  Rb  Rb3  1  0.816  0.316  0.500  1.0
  Rb  Rb4  1  0.684  0.816  0.500  1.0
  Rb  Rb5  1  0.316  0.184  0.500  1.0
  H  H6  1  0.500  0.500  0.500  1.0
  H  H7  1  0.000  0.000  0.500  1.0
  H  H8  1  0.609  0.109  0.812  1.0
  H  H9  1  0.391  0.891  0.812  1.0
  H  H10  1  0.109  0.391  0.812  1.0
  H  H11  1  0.891  0.609  0.812  1.0
  H  H12  1  0.391  0.891  0.188  1.0
  H  H13  1  0.609  0.109  0.188  1.0
  H  H14  1  0.891  0.609  0.188  1.0
  H  H15  1  0.109  0.391  0.188  1.0
  Pd  Pd16  1  0.500  0.000  0.000  1.0
  Pd  Pd17  1  0.000  0.500  0.000  1.0
[/CIF]
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