The compound described by Na4PtPdH4 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Pd(1), one H(1), and four equivalent H(2) atoms to form distorted NaH5Pd4 square pyramids that share corners with eight equivalent H(2)Na5Pd octahedra, corners with four equivalent Na(1)H5Pd4 square pyramids, edges with four equivalent Na(2)H5 square pyramids, edges with eight equivalent Na(1)H5Pd4 square pyramids, and faces with five equivalent Na(1)H5Pd4 square pyramids. The corner-sharing octahedral tilt angles range from 59-121°. In the second Na site, Na(2) is bonded to one H(2) and four equivalent H(1) atoms to form distorted NaH5 square pyramids that share corners with four equivalent Na(2)H5 square pyramids, edges with four equivalent Na(2)H5 square pyramids, and edges with four equivalent Na(1)H5Pd4 square pyramids. Pt(1) is bonded in a linear geometry to two equivalent H(1) atoms. Pd(1) is bonded in a distorted linear geometry to eight equivalent Na(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to one Na(1), four equivalent Na(2), and one Pt(1) atom to form HNa5Pt octahedra that share corners with five equivalent H(1)Na5Pt octahedra, edges with four equivalent H(2)Na5Pd octahedra, and edges with four equivalent H(1)Na5Pt octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second H site, H(2) is bonded to one Na(2), four equivalent Na(1), and one Pd(1) atom to form HNa5Pd octahedra that share corners with five equivalent H(2)Na5Pd octahedra, corners with eight equivalent Na(1)H5Pd4 square pyramids, edges with four equivalent H(2)Na5Pd octahedra, and edges with four equivalent H(1)Na5Pt octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF card [CIF]
data_Na4H4PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.639
_cell_length_b   3.639
_cell_length_c   11.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.285
_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
  Na  Na0  1  0.500  0.500  0.139  1.0
  Na  Na1  1  0.000  0.000  0.634  1.0
  Na  Na2  1  0.000  0.000  0.366  1.0
  Na  Na3  1  0.500  0.500  0.861  1.0
  H  H4  1  0.500  0.500  0.352  1.0
  H  H5  1  0.000  0.000  0.849  1.0
  H  H6  1  0.000  0.000  0.151  1.0
  H  H7  1  0.500  0.500  0.648  1.0
  Pd  Pd8  1  0.000  0.000  0.000  1.0
  Pt  Pt9  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Na4PtPdH4 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Pd(1), one H(1), and four equivalent H(2) atoms to form distorted NaH5Pd4 square pyramids that share corners with eight equivalent H(2)Na5Pd octahedra, corners with four equivalent Na(1)H5Pd4 square pyramids, edges with four equivalent Na(2)H5 square pyramids, edges with eight equivalent Na(1)H5Pd4 square pyramids, and faces with five equivalent Na(1)H5Pd4 square pyramids. The corner-sharing octahedral tilt angles range from 59-121°. In the second Na site, Na(2) is bonded to one H(2) and four equivalent H(1) atoms to form distorted NaH5 square pyramids that share corners with four equivalent Na(2)H5 square pyramids, edges with four equivalent Na(2)H5 square pyramids, and edges with four equivalent Na(1)H5Pd4 square pyramids. Pt(1) is bonded in a linear geometry to two equivalent H(1) atoms. Pd(1) is bonded in a distorted linear geometry to eight equivalent Na(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to one Na(1), four equivalent Na(2), and one Pt(1) atom to form HNa5Pt octahedra that share corners with five equivalent H(1)Na5Pt octahedra, edges with four equivalent H(2)Na5Pd octahedra, and edges with four equivalent H(1)Na5Pt octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second H site, H(2) is bonded to one Na(2), four equivalent Na(1), and one Pd(1) atom to form HNa5Pd octahedra that share corners with five equivalent H(2)Na5Pd octahedra, corners with eight equivalent Na(1)H5Pd4 square pyramids, edges with four equivalent H(2)Na5Pd octahedra, and edges with four equivalent H(1)Na5Pt octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF card [CIF]
data_Na4H4PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.639
_cell_length_b   3.639
_cell_length_c   11.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.285
_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
  Na  Na0  1  0.500  0.500  0.139  1.0
  Na  Na1  1  0.000  0.000  0.634  1.0
  Na  Na2  1  0.000  0.000  0.366  1.0
  Na  Na3  1  0.500  0.500  0.861  1.0
  H  H4  1  0.500  0.500  0.352  1.0
  H  H5  1  0.000  0.000  0.849  1.0
  H  H6  1  0.000  0.000  0.151  1.0
  H  H7  1  0.500  0.500  0.648  1.0
  Pd  Pd8  1  0.000  0.000  0.000  1.0
  Pt  Pt9  1  0.500  0.500  0.500  1.0
[/CIF]
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