The compound described by CePdAl crystallizes in the orthorhombic Pmmn space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 5-coordinate geometry to one Pd(4), two equivalent Pd(2), two equivalent Pd(3), and two equivalent Al(4) atoms. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one Pd(4), four equivalent Pd(3), and four equivalent Al(4) atoms. In the third Ce site, Ce(3) is bonded in a 5-coordinate geometry to one Pd(1), two equivalent Pd(2), two equivalent Pd(3), and two equivalent Al(4) atoms. In the fourth Ce site, Ce(4) is bonded in a 5-coordinate geometry to two equivalent Pd(2) and three equivalent Pd(1) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Al(2), one Al(3), and one Al(4) atom. In the second Pd site, Pd(4) is bonded in a 9-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Al(3), and four equivalent Al(4) atoms. In the third Pd site, Pd(1) is bonded in a 9-coordinate geometry to one Ce(3), three equivalent Ce(4), two equivalent Al(2), and three equivalent Al(1) atoms. In the fourth Pd site, Pd(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(3), two equivalent Ce(4), one Al(1), one Al(2), and one Al(4) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one Pd(2) and three equivalent Pd(1) atoms to form a mixture of distorted corner and edge-sharing AlPd4 tetrahedra. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one Pd(2), one Pd(3), and two equivalent Pd(1) atoms. In the third Al site, Al(3) is bonded in a 4-coordinate geometry to two equivalent Pd(3), two equivalent Pd(4), and two equivalent Al(4) atoms. In the fourth Al site, Al(4) is bonded in a 12-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Pd(2), one Pd(3), two equivalent Pd(4), one Al(3), and one Al(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.241
_cell_length_b   7.173
_cell_length_c   28.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   873.000
_cell_formula_units_Z   14
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  0.488  0.091  1.0
  Ce  Ce1  1  0.000  0.857  0.000  1.0
  Ce  Ce2  1  0.500  0.007  0.623  1.0
  Ce  Ce3  1  0.000  0.993  0.123  1.0
  Ce  Ce4  1  0.000  0.488  0.909  1.0
  Ce  Ce5  1  0.500  0.143  0.500  1.0
  Ce  Ce6  1  0.000  0.993  0.877  1.0
  Ce  Ce7  1  0.500  0.642  0.717  1.0
  Ce  Ce8  1  0.500  0.512  0.591  1.0
  Ce  Ce9  1  0.500  0.512  0.409  1.0
  Ce  Ce10  1  0.000  0.358  0.783  1.0
  Ce  Ce11  1  0.500  0.642  0.283  1.0
  Ce  Ce12  1  0.000  0.358  0.217  1.0
  Ce  Ce13  1  0.500  0.007  0.377  1.0
  Al  Al14  1  0.500  0.011  0.785  1.0
  Al  Al15  1  0.000  0.989  0.285  1.0
  Al  Al16  1  0.500  0.660  0.166  1.0
  Al  Al17  1  0.500  0.511  0.000  1.0
  Al  Al18  1  0.000  0.489  0.500  1.0
  Al  Al19  1  0.500  0.660  0.834  1.0
  Al  Al20  1  0.000  0.340  0.666  1.0
  Al  Al21  1  0.000  0.835  0.450  1.0
  Al  Al22  1  0.000  0.835  0.550  1.0
  Al  Al23  1  0.500  0.011  0.215  1.0
  Al  Al24  1  0.500  0.165  0.050  1.0
  Al  Al25  1  0.000  0.989  0.715  1.0
  Al  Al26  1  0.000  0.340  0.334  1.0
  Al  Al27  1  0.500  0.165  0.950  1.0
  Pd  Pd28  1  0.000  0.791  0.791  1.0
  Pd  Pd29  1  0.500  0.276  0.853  1.0
  Pd  Pd30  1  0.000  0.724  0.647  1.0
  Pd  Pd31  1  0.500  0.209  0.291  1.0
  Pd  Pd32  1  0.000  0.221  0.572  1.0
  Pd  Pd33  1  0.500  0.779  0.072  1.0
  Pd  Pd34  1  0.000  0.221  0.428  1.0
  Pd  Pd35  1  0.500  0.779  0.928  1.0
  Pd  Pd36  1  0.500  0.209  0.709  1.0
  Pd  Pd37  1  0.500  0.276  0.147  1.0
  Pd  Pd38  1  0.000  0.791  0.209  1.0
  Pd  Pd39  1  0.000  0.724  0.353  1.0
  Pd  Pd40  1  0.000  0.279  0.000  1.0
  Pd  Pd41  1  0.500  0.721  0.500  1.0
[/CIF]
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The compound described by CePdAl crystallizes in the orthorhombic Pmmn space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 5-coordinate geometry to one Pd(4), two equivalent Pd(2), two equivalent Pd(3), and two equivalent Al(4) atoms. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one Pd(4), four equivalent Pd(3), and four equivalent Al(4) atoms. In the third Ce site, Ce(3) is bonded in a 5-coordinate geometry to one Pd(1), two equivalent Pd(2), two equivalent Pd(3), and two equivalent Al(4) atoms. In the fourth Ce site, Ce(4) is bonded in a 5-coordinate geometry to two equivalent Pd(2) and three equivalent Pd(1) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Al(2), one Al(3), and one Al(4) atom. In the second Pd site, Pd(4) is bonded in a 9-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Al(3), and four equivalent Al(4) atoms. In the third Pd site, Pd(1) is bonded in a 9-coordinate geometry to one Ce(3), three equivalent Ce(4), two equivalent Al(2), and three equivalent Al(1) atoms. In the fourth Pd site, Pd(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(3), two equivalent Ce(4), one Al(1), one Al(2), and one Al(4) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one Pd(2) and three equivalent Pd(1) atoms to form a mixture of distorted corner and edge-sharing AlPd4 tetrahedra. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one Pd(2), one Pd(3), and two equivalent Pd(1) atoms. In the third Al site, Al(3) is bonded in a 4-coordinate geometry to two equivalent Pd(3), two equivalent Pd(4), and two equivalent Al(4) atoms. In the fourth Al site, Al(4) is bonded in a 12-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Pd(2), one Pd(3), two equivalent Pd(4), one Al(3), and one Al(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.241
_cell_length_b   7.173
_cell_length_c   28.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   873.000
_cell_formula_units_Z   14
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  0.488  0.091  1.0
  Ce  Ce1  1  0.000  0.857  0.000  1.0
  Ce  Ce2  1  0.500  0.007  0.623  1.0
  Ce  Ce3  1  0.000  0.993  0.123  1.0
  Ce  Ce4  1  0.000  0.488  0.909  1.0
  Ce  Ce5  1  0.500  0.143  0.500  1.0
  Ce  Ce6  1  0.000  0.993  0.877  1.0
  Ce  Ce7  1  0.500  0.642  0.717  1.0
  Ce  Ce8  1  0.500  0.512  0.591  1.0
  Ce  Ce9  1  0.500  0.512  0.409  1.0
  Ce  Ce10  1  0.000  0.358  0.783  1.0
  Ce  Ce11  1  0.500  0.642  0.283  1.0
  Ce  Ce12  1  0.000  0.358  0.217  1.0
  Ce  Ce13  1  0.500  0.007  0.377  1.0
  Al  Al14  1  0.500  0.011  0.785  1.0
  Al  Al15  1  0.000  0.989  0.285  1.0
  Al  Al16  1  0.500  0.660  0.166  1.0
  Al  Al17  1  0.500  0.511  0.000  1.0
  Al  Al18  1  0.000  0.489  0.500  1.0
  Al  Al19  1  0.500  0.660  0.834  1.0
  Al  Al20  1  0.000  0.340  0.666  1.0
  Al  Al21  1  0.000  0.835  0.450  1.0
  Al  Al22  1  0.000  0.835  0.550  1.0
  Al  Al23  1  0.500  0.011  0.215  1.0
  Al  Al24  1  0.500  0.165  0.050  1.0
  Al  Al25  1  0.000  0.989  0.715  1.0
  Al  Al26  1  0.000  0.340  0.334  1.0
  Al  Al27  1  0.500  0.165  0.950  1.0
  Pd  Pd28  1  0.000  0.791  0.791  1.0
  Pd  Pd29  1  0.500  0.276  0.853  1.0
  Pd  Pd30  1  0.000  0.724  0.647  1.0
  Pd  Pd31  1  0.500  0.209  0.291  1.0
  Pd  Pd32  1  0.000  0.221  0.572  1.0
  Pd  Pd33  1  0.500  0.779  0.072  1.0
  Pd  Pd34  1  0.000  0.221  0.428  1.0
  Pd  Pd35  1  0.500  0.779  0.928  1.0
  Pd  Pd36  1  0.500  0.209  0.709  1.0
  Pd  Pd37  1  0.500  0.276  0.147  1.0
  Pd  Pd38  1  0.000  0.791  0.209  1.0
  Pd  Pd39  1  0.000  0.724  0.353  1.0
  Pd  Pd40  1  0.000  0.279  0.000  1.0
  Pd  Pd41  1  0.500  0.721  0.500  1.0
[/CIF]
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