The structure described by NaBaPdH3 crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to six equivalent H(1) atoms to form NaH6 octahedra that share corners with six equivalent Pd(1)Ba2H3 trigonal bipyramids, edges with six equivalent Ba(1)H6Pd2 hexagonal bipyramids, and faces with two equivalent Na(1)H6 octahedra. Ba(1) is bonded to two equivalent Pd(1) and six equivalent H(1) atoms to form BaH6Pd2 hexagonal bipyramids that share corners with eight equivalent Ba(1)H6Pd2 hexagonal bipyramids, corners with six equivalent H(1)Ba2Na2Pd trigonal bipyramids, edges with six equivalent Na(1)H6 octahedra, and edges with three equivalent Pd(1)Ba2H3 trigonal bipyramids. Pd(1) is bonded to two equivalent Ba(1) and three equivalent H(1) atoms to form PdBa2H3 trigonal bipyramids that share corners with six equivalent Na(1)H6 octahedra, corners with two equivalent Pd(1)Ba2H3 trigonal bipyramids, corners with twelve equivalent H(1)Ba2Na2Pd trigonal bipyramids, and edges with three equivalent Ba(1)H6Pd2 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. H(1) is bonded to two equivalent Na(1), two equivalent Ba(1), and one Pd(1) atom to form distorted HBa2Na2Pd trigonal bipyramids that share corners with two equivalent Ba(1)H6Pd2 hexagonal bipyramids, corners with four equivalent Pd(1)Ba2H3 trigonal bipyramids, corners with twelve equivalent H(1)Ba2Na2Pd trigonal bipyramids, edges with two equivalent H(1)Ba2Na2Pd trigonal bipyramids, and faces with two equivalent H(1)Ba2Na2Pd trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNaH3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.090
_cell_length_b   6.090
_cell_length_c   6.210
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   199.430
_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
  Ba  Ba0  1  0.667  0.333  0.250  1.0
  Ba  Ba1  1  0.333  0.667  0.750  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.168  0.336  0.250  1.0
  H  H5  1  0.168  0.832  0.250  1.0
  H  H6  1  0.664  0.832  0.250  1.0
  H  H7  1  0.336  0.168  0.750  1.0
  H  H8  1  0.832  0.168  0.750  1.0
  H  H9  1  0.832  0.664  0.750  1.0
  Pd  Pd10  1  0.333  0.667  0.250  1.0
  Pd  Pd11  1  0.667  0.333  0.750  1.0
[/CIF]
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The structure described by NaBaPdH3 crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to six equivalent H(1) atoms to form NaH6 octahedra that share corners with six equivalent Pd(1)Ba2H3 trigonal bipyramids, edges with six equivalent Ba(1)H6Pd2 hexagonal bipyramids, and faces with two equivalent Na(1)H6 octahedra. Ba(1) is bonded to two equivalent Pd(1) and six equivalent H(1) atoms to form BaH6Pd2 hexagonal bipyramids that share corners with eight equivalent Ba(1)H6Pd2 hexagonal bipyramids, corners with six equivalent H(1)Ba2Na2Pd trigonal bipyramids, edges with six equivalent Na(1)H6 octahedra, and edges with three equivalent Pd(1)Ba2H3 trigonal bipyramids. Pd(1) is bonded to two equivalent Ba(1) and three equivalent H(1) atoms to form PdBa2H3 trigonal bipyramids that share corners with six equivalent Na(1)H6 octahedra, corners with two equivalent Pd(1)Ba2H3 trigonal bipyramids, corners with twelve equivalent H(1)Ba2Na2Pd trigonal bipyramids, and edges with three equivalent Ba(1)H6Pd2 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. H(1) is bonded to two equivalent Na(1), two equivalent Ba(1), and one Pd(1) atom to form distorted HBa2Na2Pd trigonal bipyramids that share corners with two equivalent Ba(1)H6Pd2 hexagonal bipyramids, corners with four equivalent Pd(1)Ba2H3 trigonal bipyramids, corners with twelve equivalent H(1)Ba2Na2Pd trigonal bipyramids, edges with two equivalent H(1)Ba2Na2Pd trigonal bipyramids, and faces with two equivalent H(1)Ba2Na2Pd trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNaH3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.090
_cell_length_b   6.090
_cell_length_c   6.210
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   199.430
_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
  Ba  Ba0  1  0.667  0.333  0.250  1.0
  Ba  Ba1  1  0.333  0.667  0.750  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.168  0.336  0.250  1.0
  H  H5  1  0.168  0.832  0.250  1.0
  H  H6  1  0.664  0.832  0.250  1.0
  H  H7  1  0.336  0.168  0.750  1.0
  H  H8  1  0.832  0.168  0.750  1.0
  H  H9  1  0.832  0.664  0.750  1.0
  Pd  Pd10  1  0.333  0.667  0.250  1.0
  Pd  Pd11  1  0.667  0.333  0.750  1.0
[/CIF]
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