The material structure described by CePd3As2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 17-coordinate geometry to one Pd(4), two equivalent Pd(1), two equivalent Pd(5), three equivalent Pd(2), three equivalent Pd(3), two equivalent As(1), two equivalent As(2), and two equivalent As(3) atoms. In the second Ce site, Ce(2) is bonded to two equivalent Pd(1), four equivalent Pd(4), two equivalent As(1), and four equivalent As(3) atoms to form CeAs6Pd6 cuboctahedra that share edges with four equivalent Pd(1)Ce3As4Pd5 cuboctahedra, edges with four equivalent Pd(5)Ce4As4Pd4 cuboctahedra, faces with two equivalent Ce(2)As6Pd6 cuboctahedra, and faces with two equivalent Pd(1)Ce3As4Pd5 cuboctahedra. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Ce(2), two equivalent Ce(1), one Pd(3), two equivalent Pd(4), two equivalent Pd(5), two equivalent As(2), and two equivalent As(3) atoms to form distorted PdCe3As4Pd5 cuboctahedra that share corners with three equivalent Pd(1)Ce3As4Pd5 cuboctahedra, edges with two equivalent Ce(2)As6Pd6 cuboctahedra,  a faceface with one Ce(2)As6Pd6 cuboctahedra, faces with two equivalent Pd(5)Ce4As4Pd4 cuboctahedra, and faces with three equivalent Pd(1)Ce3As4Pd5 cuboctahedra. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to three equivalent Ce(1), one Pd(4), one As(3), and three equivalent As(1) atoms. In the third Pd site, Pd(3) is bonded in a 12-coordinate geometry to three equivalent Ce(1), one Pd(1), two equivalent Pd(3), two equivalent Pd(4), one As(1), and three equivalent As(2) atoms. In the fourth Pd site, Pd(4) is bonded in a 12-coordinate geometry to one Ce(1), two equivalent Ce(2), one Pd(2), two equivalent Pd(1), two equivalent Pd(3), one As(2), one As(3), and two equivalent As(1) atoms. In the fifth Pd site, Pd(5) is bonded to four equivalent Ce(1), four equivalent Pd(1), two equivalent As(2), and two equivalent As(3) atoms to form distorted PdCe4As4Pd4 cuboctahedra that share edges with four equivalent Ce(2)As6Pd6 cuboctahedra, faces with two equivalent Pd(5)Ce4As4Pd4 cuboctahedra, and faces with four equivalent Pd(1)Ce3As4Pd5 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Ce(2), two equivalent Ce(1), one Pd(3), two equivalent Pd(4), and three equivalent Pd(2) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), one Pd(4), one Pd(5), two equivalent Pd(1), and three equivalent Pd(3) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one Pd(2), one Pd(4), one Pd(5), and two equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_CeAs2Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.638
_cell_length_b   8.638
_cell_length_c   10.031
_cell_angle_alpha   72.548
_cell_angle_beta   72.548
_cell_angle_gamma   27.692
_symmetry_Int_Tables_number   1
_cell_volume   330.853
_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  0.156  0.156  0.297  1.0
  Ce  Ce1  1  0.844  0.844  0.703  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.801  0.801  0.128  1.0
  As  As4  1  0.636  0.636  0.545  1.0
  As  As5  1  0.364  0.364  0.455  1.0
  As  As6  1  0.199  0.199  0.872  1.0
  As  As7  1  0.537  0.537  0.216  1.0
  As  As8  1  0.463  0.463  0.784  1.0
  Pd  Pd9  1  0.045  0.045  0.667  1.0
  Pd  Pd10  1  0.323  0.323  0.966  1.0
  Pd  Pd11  1  0.677  0.677  0.034  1.0
  Pd  Pd12  1  0.779  0.779  0.392  1.0
  Pd  Pd13  1  0.374  0.374  0.203  1.0
  Pd  Pd14  1  0.955  0.955  0.333  1.0
  Pd  Pd15  1  0.221  0.221  0.608  1.0
  Pd  Pd16  1  0.500  0.500  0.500  1.0
  Pd  Pd17  1  0.626  0.626  0.797  1.0
[/CIF]
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The material structure described by CePd3As2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 17-coordinate geometry to one Pd(4), two equivalent Pd(1), two equivalent Pd(5), three equivalent Pd(2), three equivalent Pd(3), two equivalent As(1), two equivalent As(2), and two equivalent As(3) atoms. In the second Ce site, Ce(2) is bonded to two equivalent Pd(1), four equivalent Pd(4), two equivalent As(1), and four equivalent As(3) atoms to form CeAs6Pd6 cuboctahedra that share edges with four equivalent Pd(1)Ce3As4Pd5 cuboctahedra, edges with four equivalent Pd(5)Ce4As4Pd4 cuboctahedra, faces with two equivalent Ce(2)As6Pd6 cuboctahedra, and faces with two equivalent Pd(1)Ce3As4Pd5 cuboctahedra. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Ce(2), two equivalent Ce(1), one Pd(3), two equivalent Pd(4), two equivalent Pd(5), two equivalent As(2), and two equivalent As(3) atoms to form distorted PdCe3As4Pd5 cuboctahedra that share corners with three equivalent Pd(1)Ce3As4Pd5 cuboctahedra, edges with two equivalent Ce(2)As6Pd6 cuboctahedra,  a faceface with one Ce(2)As6Pd6 cuboctahedra, faces with two equivalent Pd(5)Ce4As4Pd4 cuboctahedra, and faces with three equivalent Pd(1)Ce3As4Pd5 cuboctahedra. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to three equivalent Ce(1), one Pd(4), one As(3), and three equivalent As(1) atoms. In the third Pd site, Pd(3) is bonded in a 12-coordinate geometry to three equivalent Ce(1), one Pd(1), two equivalent Pd(3), two equivalent Pd(4), one As(1), and three equivalent As(2) atoms. In the fourth Pd site, Pd(4) is bonded in a 12-coordinate geometry to one Ce(1), two equivalent Ce(2), one Pd(2), two equivalent Pd(1), two equivalent Pd(3), one As(2), one As(3), and two equivalent As(1) atoms. In the fifth Pd site, Pd(5) is bonded to four equivalent Ce(1), four equivalent Pd(1), two equivalent As(2), and two equivalent As(3) atoms to form distorted PdCe4As4Pd4 cuboctahedra that share edges with four equivalent Ce(2)As6Pd6 cuboctahedra, faces with two equivalent Pd(5)Ce4As4Pd4 cuboctahedra, and faces with four equivalent Pd(1)Ce3As4Pd5 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Ce(2), two equivalent Ce(1), one Pd(3), two equivalent Pd(4), and three equivalent Pd(2) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), one Pd(4), one Pd(5), two equivalent Pd(1), and three equivalent Pd(3) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one Pd(2), one Pd(4), one Pd(5), and two equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_CeAs2Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.638
_cell_length_b   8.638
_cell_length_c   10.031
_cell_angle_alpha   72.548
_cell_angle_beta   72.548
_cell_angle_gamma   27.692
_symmetry_Int_Tables_number   1
_cell_volume   330.853
_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  0.156  0.156  0.297  1.0
  Ce  Ce1  1  0.844  0.844  0.703  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.801  0.801  0.128  1.0
  As  As4  1  0.636  0.636  0.545  1.0
  As  As5  1  0.364  0.364  0.455  1.0
  As  As6  1  0.199  0.199  0.872  1.0
  As  As7  1  0.537  0.537  0.216  1.0
  As  As8  1  0.463  0.463  0.784  1.0
  Pd  Pd9  1  0.045  0.045  0.667  1.0
  Pd  Pd10  1  0.323  0.323  0.966  1.0
  Pd  Pd11  1  0.677  0.677  0.034  1.0
  Pd  Pd12  1  0.779  0.779  0.392  1.0
  Pd  Pd13  1  0.374  0.374  0.203  1.0
  Pd  Pd14  1  0.955  0.955  0.333  1.0
  Pd  Pd15  1  0.221  0.221  0.608  1.0
  Pd  Pd16  1  0.500  0.500  0.500  1.0
  Pd  Pd17  1  0.626  0.626  0.797  1.0
[/CIF]
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