The structure described by PdAl is beta-prime palladium aluminum structured and crystallizes in the trigonal R-3 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 7-coordinate geometry to one Al(3), two equivalent Al(2), and four equivalent Al(1) atoms. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to two equivalent Al(1) and five equivalent Al(2) atoms. In the third Pd site, Pd(3) is bonded in a body-centered cubic geometry to two equivalent Al(3) and six equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 7-coordinate geometry to one Pd(3), two equivalent Pd(2), and four equivalent Pd(1) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to two equivalent Pd(1) and five equivalent Pd(2) atoms. In the third Al site, Al(3) is bonded in a body-centered cubic geometry to two equivalent Pd(3) and six equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_AlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.197
_cell_length_b   9.197
_cell_length_c   9.197
_cell_angle_alpha   116.426
_cell_angle_beta   116.426
_cell_angle_gamma   116.426
_symmetry_Int_Tables_number   1
_cell_volume   372.688
_cell_formula_units_Z   13
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
  Al  Al0  1  0.346  0.097  0.055  1.0
  Al  Al1  1  0.753  0.154  0.598  1.0
  Al  Al2  1  0.154  0.598  0.753  1.0
  Al  Al3  1  0.247  0.846  0.402  1.0
  Al  Al4  1  0.846  0.402  0.247  1.0
  Al  Al5  1  0.055  0.346  0.097  1.0
  Al  Al6  1  0.903  0.945  0.654  1.0
  Al  Al7  1  0.402  0.247  0.846  1.0
  Al  Al8  1  0.945  0.654  0.903  1.0
  Al  Al9  1  0.598  0.753  0.154  1.0
  Al  Al10  1  0.097  0.055  0.346  1.0
  Al  Al11  1  0.500  0.500  0.500  1.0
  Al  Al12  1  0.654  0.903  0.945  1.0
  Pd  Pd13  1  0.597  0.555  0.843  1.0
  Pd  Pd14  1  0.403  0.445  0.157  1.0
  Pd  Pd15  1  0.655  0.098  0.252  1.0
  Pd  Pd16  1  0.902  0.748  0.345  1.0
  Pd  Pd17  1  0.098  0.252  0.655  1.0
  Pd  Pd18  1  0.345  0.902  0.748  1.0
  Pd  Pd19  1  0.157  0.403  0.445  1.0
  Pd  Pd20  1  0.445  0.157  0.403  1.0
  Pd  Pd21  1  0.252  0.655  0.098  1.0
  Pd  Pd22  1  0.748  0.345  0.902  1.0
  Pd  Pd23  1  0.555  0.843  0.597  1.0
  Pd  Pd24  1  0.000  0.000  0.000  1.0
  Pd  Pd25  1  0.843  0.597  0.555  1.0
[/CIF]
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The structure described by PdAl is beta-prime palladium aluminum structured and crystallizes in the trigonal R-3 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 7-coordinate geometry to one Al(3), two equivalent Al(2), and four equivalent Al(1) atoms. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to two equivalent Al(1) and five equivalent Al(2) atoms. In the third Pd site, Pd(3) is bonded in a body-centered cubic geometry to two equivalent Al(3) and six equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 7-coordinate geometry to one Pd(3), two equivalent Pd(2), and four equivalent Pd(1) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to two equivalent Pd(1) and five equivalent Pd(2) atoms. In the third Al site, Al(3) is bonded in a body-centered cubic geometry to two equivalent Pd(3) and six equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_AlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.197
_cell_length_b   9.197
_cell_length_c   9.197
_cell_angle_alpha   116.426
_cell_angle_beta   116.426
_cell_angle_gamma   116.426
_symmetry_Int_Tables_number   1
_cell_volume   372.688
_cell_formula_units_Z   13
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
  Al  Al0  1  0.346  0.097  0.055  1.0
  Al  Al1  1  0.753  0.154  0.598  1.0
  Al  Al2  1  0.154  0.598  0.753  1.0
  Al  Al3  1  0.247  0.846  0.402  1.0
  Al  Al4  1  0.846  0.402  0.247  1.0
  Al  Al5  1  0.055  0.346  0.097  1.0
  Al  Al6  1  0.903  0.945  0.654  1.0
  Al  Al7  1  0.402  0.247  0.846  1.0
  Al  Al8  1  0.945  0.654  0.903  1.0
  Al  Al9  1  0.598  0.753  0.154  1.0
  Al  Al10  1  0.097  0.055  0.346  1.0
  Al  Al11  1  0.500  0.500  0.500  1.0
  Al  Al12  1  0.654  0.903  0.945  1.0
  Pd  Pd13  1  0.597  0.555  0.843  1.0
  Pd  Pd14  1  0.403  0.445  0.157  1.0
  Pd  Pd15  1  0.655  0.098  0.252  1.0
  Pd  Pd16  1  0.902  0.748  0.345  1.0
  Pd  Pd17  1  0.098  0.252  0.655  1.0
  Pd  Pd18  1  0.345  0.902  0.748  1.0
  Pd  Pd19  1  0.157  0.403  0.445  1.0
  Pd  Pd20  1  0.445  0.157  0.403  1.0
  Pd  Pd21  1  0.252  0.655  0.098  1.0
  Pd  Pd22  1  0.748  0.345  0.902  1.0
  Pd  Pd23  1  0.555  0.843  0.597  1.0
  Pd  Pd24  1  0.000  0.000  0.000  1.0
  Pd  Pd25  1  0.843  0.597  0.555  1.0
[/CIF]
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