The material structure described by NaPd3H2 crystallizes in the orthorhombic Cmmm space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent Pd(1), eight equivalent Pd(2), and two equivalent H(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent H(1) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to four equivalent Na(1) and four equivalent H(1) atoms. H(1) is bonded to one Na(1), one Pd(1), and four equivalent Pd(2) atoms to form a mixture of distorted corner and edge-sharing HNaPd5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaH2Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   2.814
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   66.511
_symmetry_Int_Tables_number   1
_cell_volume   68.557
_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  0.000  1.0
  H  H1  1  0.784  0.784  0.000  1.0
  H  H2  1  0.216  0.216  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  Pd  Pd4  1  0.000  0.500  0.500  1.0
  Pd  Pd5  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by NaPd3H2 crystallizes in the orthorhombic Cmmm space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent Pd(1), eight equivalent Pd(2), and two equivalent H(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent H(1) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to four equivalent Na(1) and four equivalent H(1) atoms. H(1) is bonded to one Na(1), one Pd(1), and four equivalent Pd(2) atoms to form a mixture of distorted corner and edge-sharing HNaPd5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaH2Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   2.814
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   66.511
_symmetry_Int_Tables_number   1
_cell_volume   68.557
_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  0.000  1.0
  H  H1  1  0.784  0.784  0.000  1.0
  H  H2  1  0.216  0.216  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  Pd  Pd4  1  0.000  0.500  0.500  1.0
  Pd  Pd5  1  0.500  0.000  0.500  1.0
[/CIF]
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