The compound described by CePdAl6 crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded in a 16-coordinate geometry to eight equivalent Al(1) and eight equivalent Al(2) atoms. Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Pd(1), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_CeAl6Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.287
_cell_length_b   4.287
_cell_length_c   8.332
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   153.117
_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
  Ce  Ce0  1  0.000  0.000  0.500  1.0
  Al  Al1  1  0.500  0.500  0.352  1.0
  Al  Al2  1  0.500  0.500  0.648  1.0
  Al  Al3  1  0.000  0.500  0.168  1.0
  Al  Al4  1  0.000  0.500  0.832  1.0
  Al  Al5  1  0.500  0.000  0.168  1.0
  Al  Al6  1  0.500  0.000  0.832  1.0
  Pd  Pd7  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by CePdAl6 crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded in a 16-coordinate geometry to eight equivalent Al(1) and eight equivalent Al(2) atoms. Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Pd(1), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_CeAl6Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.287
_cell_length_b   4.287
_cell_length_c   8.332
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   153.117
_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
  Ce  Ce0  1  0.000  0.000  0.500  1.0
  Al  Al1  1  0.500  0.500  0.352  1.0
  Al  Al2  1  0.500  0.500  0.648  1.0
  Al  Al3  1  0.000  0.500  0.168  1.0
  Al  Al4  1  0.000  0.500  0.832  1.0
  Al  Al5  1  0.500  0.000  0.168  1.0
  Al  Al6  1  0.500  0.000  0.832  1.0
  Pd  Pd7  1  0.000  0.000  0.000  1.0
[/CIF]
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