The material structure described by Al3Pd5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Al(1) and four equivalent Al(2) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Al(1) and four equivalent Al(2) atoms. In the third Pd site, Pd(3) is bonded in a 5-coordinate geometry to one Al(1) and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to two equivalent Pd(2), two equivalent Pd(3), and four equivalent Pd(1) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Pd(2), four equivalent Pd(1), and four equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_Al3Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.044
_cell_length_b   5.378
_cell_length_c   10.519
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.769
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.500  0.164  0.358  1.0
  Al  Al3  1  0.500  0.836  0.642  1.0
  Al  Al4  1  0.500  0.664  0.142  1.0
  Al  Al5  1  0.500  0.336  0.858  1.0
  Pd  Pd6  1  0.500  0.187  0.106  1.0
  Pd  Pd7  1  0.500  0.813  0.894  1.0
  Pd  Pd8  1  0.500  0.687  0.394  1.0
  Pd  Pd9  1  0.500  0.313  0.606  1.0
  Pd  Pd10  1  0.000  0.000  0.500  1.0
  Pd  Pd11  1  0.000  0.500  0.000  1.0
  Pd  Pd12  1  0.000  0.905  0.233  1.0
  Pd  Pd13  1  0.000  0.095  0.767  1.0
  Pd  Pd14  1  0.000  0.405  0.267  1.0
  Pd  Pd15  1  0.000  0.595  0.733  1.0
[/CIF]
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The material structure described by Al3Pd5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Al(1) and four equivalent Al(2) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Al(1) and four equivalent Al(2) atoms. In the third Pd site, Pd(3) is bonded in a 5-coordinate geometry to one Al(1) and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to two equivalent Pd(2), two equivalent Pd(3), and four equivalent Pd(1) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Pd(2), four equivalent Pd(1), and four equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_Al3Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.044
_cell_length_b   5.378
_cell_length_c   10.519
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.769
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.500  0.164  0.358  1.0
  Al  Al3  1  0.500  0.836  0.642  1.0
  Al  Al4  1  0.500  0.664  0.142  1.0
  Al  Al5  1  0.500  0.336  0.858  1.0
  Pd  Pd6  1  0.500  0.187  0.106  1.0
  Pd  Pd7  1  0.500  0.813  0.894  1.0
  Pd  Pd8  1  0.500  0.687  0.394  1.0
  Pd  Pd9  1  0.500  0.313  0.606  1.0
  Pd  Pd10  1  0.000  0.000  0.500  1.0
  Pd  Pd11  1  0.000  0.500  0.000  1.0
  Pd  Pd12  1  0.000  0.905  0.233  1.0
  Pd  Pd13  1  0.000  0.095  0.767  1.0
  Pd  Pd14  1  0.000  0.405  0.267  1.0
  Pd  Pd15  1  0.000  0.595  0.733  1.0
[/CIF]
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