The material structure described by CeY(PdAl)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 5-coordinate geometry to one Pd(6), two equivalent Pd(1), and two equivalent Pd(4) atoms. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one Pd(5), two equivalent Pd(2), and two equivalent Pd(3) atoms. In the third Ce site, Ce(3) is bonded in a 5-coordinate geometry to one Pd(5), two equivalent Pd(1), and two equivalent Pd(3) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one Pd(6), two equivalent Pd(2), and two equivalent Pd(4) atoms. In the second Y site, Y(2) is bonded in a 11-coordinate geometry to one Pd(6), two equivalent Pd(1), two equivalent Pd(3), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms. In the third Y site, Y(3) is bonded in a 5-coordinate geometry to one Pd(5), two equivalent Pd(2), and two equivalent Pd(4) atoms. There are six inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(3), two equivalent Y(2), one Al(2), one Al(3), and one Al(5) atom. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to two equivalent Ce(2), two equivalent Y(1), two equivalent Y(3), one Al(1), one Al(4), and one Al(6) atom. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Ce(2), two equivalent Ce(3), two equivalent Y(2), one Al(1), one Al(3), and one Al(5) atom. In the fourth Pd site, Pd(4) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Y(1), two equivalent Y(3), one Al(2), one Al(4), and one Al(6) atom. In the fifth Pd site, Pd(5) is bonded in a 9-coordinate geometry to one Ce(2), one Ce(3), one Y(3), two equivalent Al(1), two equivalent Al(4), and two equivalent Al(5) atoms. In the sixth Pd site, Pd(6) is bonded in a 9-coordinate geometry to one Ce(1), one Y(1), one Y(2), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(6) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one Pd(2), one Pd(3), and two equivalent Pd(5) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to two equivalent Y(2), one Pd(1), one Pd(4), and two equivalent Pd(6) atoms. In the third Al site, Al(3) is bonded in a 4-coordinate geometry to two equivalent Y(2), one Pd(1), one Pd(3), and two equivalent Pd(6) atoms. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to one Pd(2), one Pd(4), and two equivalent Pd(5) atoms. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to two equivalent Y(2), one Pd(1), one Pd(3), and two equivalent Pd(5) atoms. In the sixth Al site, Al(6) is bonded in a 4-coordinate geometry to one Pd(2), one Pd(4), and two equivalent Pd(6) atoms. is represented by the CIF card [CIF]
data_CeY(AlPd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.141
_cell_length_b   7.221
_cell_length_c   12.370
_cell_angle_alpha   89.703
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   369.943
_cell_formula_units_Z   3
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  0.500  0.920  0.499  1.0
  Ce  Ce1  1  0.500  0.421  0.001  1.0
  Ce  Ce2  1  0.500  0.789  0.789  1.0
  Y  Y3  1  0.500  0.291  0.292  1.0
  Y  Y4  1  0.500  0.291  0.708  1.0
  Y  Y5  1  0.500  0.791  0.209  1.0
  Al  Al6  1  0.000  0.770  0.002  1.0
  Al  Al7  1  0.000  0.268  0.499  1.0
  Al  Al8  1  0.000  0.614  0.616  1.0
  Al  Al9  1  0.000  0.117  0.120  1.0
  Al  Al10  1  0.000  0.120  0.882  1.0
  Al  Al11  1  0.000  0.615  0.380  1.0
  Pd  Pd12  1  0.000  0.994  0.665  1.0
  Pd  Pd13  1  0.000  0.497  0.165  1.0
  Pd  Pd14  1  0.000  0.502  0.836  1.0
  Pd  Pd15  1  0.000  0.997  0.336  1.0
  Pd  Pd16  1  0.500  0.002  0.999  1.0
  Pd  Pd17  1  0.500  0.502  0.500  1.0
[/CIF]
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The material structure described by CeY(PdAl)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 5-coordinate geometry to one Pd(6), two equivalent Pd(1), and two equivalent Pd(4) atoms. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one Pd(5), two equivalent Pd(2), and two equivalent Pd(3) atoms. In the third Ce site, Ce(3) is bonded in a 5-coordinate geometry to one Pd(5), two equivalent Pd(1), and two equivalent Pd(3) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one Pd(6), two equivalent Pd(2), and two equivalent Pd(4) atoms. In the second Y site, Y(2) is bonded in a 11-coordinate geometry to one Pd(6), two equivalent Pd(1), two equivalent Pd(3), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms. In the third Y site, Y(3) is bonded in a 5-coordinate geometry to one Pd(5), two equivalent Pd(2), and two equivalent Pd(4) atoms. There are six inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(3), two equivalent Y(2), one Al(2), one Al(3), and one Al(5) atom. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to two equivalent Ce(2), two equivalent Y(1), two equivalent Y(3), one Al(1), one Al(4), and one Al(6) atom. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Ce(2), two equivalent Ce(3), two equivalent Y(2), one Al(1), one Al(3), and one Al(5) atom. In the fourth Pd site, Pd(4) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Y(1), two equivalent Y(3), one Al(2), one Al(4), and one Al(6) atom. In the fifth Pd site, Pd(5) is bonded in a 9-coordinate geometry to one Ce(2), one Ce(3), one Y(3), two equivalent Al(1), two equivalent Al(4), and two equivalent Al(5) atoms. In the sixth Pd site, Pd(6) is bonded in a 9-coordinate geometry to one Ce(1), one Y(1), one Y(2), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(6) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one Pd(2), one Pd(3), and two equivalent Pd(5) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to two equivalent Y(2), one Pd(1), one Pd(4), and two equivalent Pd(6) atoms. In the third Al site, Al(3) is bonded in a 4-coordinate geometry to two equivalent Y(2), one Pd(1), one Pd(3), and two equivalent Pd(6) atoms. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to one Pd(2), one Pd(4), and two equivalent Pd(5) atoms. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to two equivalent Y(2), one Pd(1), one Pd(3), and two equivalent Pd(5) atoms. In the sixth Al site, Al(6) is bonded in a 4-coordinate geometry to one Pd(2), one Pd(4), and two equivalent Pd(6) atoms. is represented by the CIF card [CIF]
data_CeY(AlPd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.141
_cell_length_b   7.221
_cell_length_c   12.370
_cell_angle_alpha   89.703
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   369.943
_cell_formula_units_Z   3
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  0.500  0.920  0.499  1.0
  Ce  Ce1  1  0.500  0.421  0.001  1.0
  Ce  Ce2  1  0.500  0.789  0.789  1.0
  Y  Y3  1  0.500  0.291  0.292  1.0
  Y  Y4  1  0.500  0.291  0.708  1.0
  Y  Y5  1  0.500  0.791  0.209  1.0
  Al  Al6  1  0.000  0.770  0.002  1.0
  Al  Al7  1  0.000  0.268  0.499  1.0
  Al  Al8  1  0.000  0.614  0.616  1.0
  Al  Al9  1  0.000  0.117  0.120  1.0
  Al  Al10  1  0.000  0.120  0.882  1.0
  Al  Al11  1  0.000  0.615  0.380  1.0
  Pd  Pd12  1  0.000  0.994  0.665  1.0
  Pd  Pd13  1  0.000  0.497  0.165  1.0
  Pd  Pd14  1  0.000  0.502  0.836  1.0
  Pd  Pd15  1  0.000  0.997  0.336  1.0
  Pd  Pd16  1  0.500  0.002  0.999  1.0
  Pd  Pd17  1  0.500  0.502  0.500  1.0
[/CIF]
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