The crystal structure described by Pr2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Pd(1) and eight equivalent Si(1) atoms to form PrSi8Pd4 cuboctahedra that share edges with four equivalent Pr(2)Si12 cuboctahedra, edges with eight equivalent Pr(1)Si8Pd4 cuboctahedra, faces with two equivalent Pr(2)Si12 cuboctahedra, and faces with six equivalent Pr(1)Si8Pd4 cuboctahedra. In the second Pr site, Pr(2) is bonded to twelve equivalent Si(1) atoms to form PrSi12 cuboctahedra that share edges with twelve equivalent Pr(1)Si8Pd4 cuboctahedra, faces with two equivalent Pr(2)Si12 cuboctahedra, and faces with six equivalent Pr(1)Si8Pd4 cuboctahedra. Pd(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Pr(2), four equivalent Pr(1), one Pd(1), and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Pr2Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.303
_cell_length_b   8.289
_cell_length_c   8.289
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.043
_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
  Pd  Pd0  1  0.000  0.333  0.667  1.0
  Pd  Pd1  1  0.000  0.667  0.333  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Pr  Pr3  1  0.500  0.000  0.500  1.0
  Pr  Pr4  1  0.500  0.500  0.500  1.0
  Pr  Pr5  1  0.500  0.000  0.000  1.0
  Si  Si6  1  1.000  0.166  0.331  1.0
  Si  Si7  1  0.000  0.834  0.669  1.0
  Si  Si8  1  1.000  0.669  0.834  1.0
  Si  Si9  1  0.000  0.331  0.166  1.0
  Si  Si10  1  1.000  0.166  0.834  1.0
  Si  Si11  1  0.000  0.834  0.166  1.0
[/CIF]
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The crystal structure described by Pr2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Pd(1) and eight equivalent Si(1) atoms to form PrSi8Pd4 cuboctahedra that share edges with four equivalent Pr(2)Si12 cuboctahedra, edges with eight equivalent Pr(1)Si8Pd4 cuboctahedra, faces with two equivalent Pr(2)Si12 cuboctahedra, and faces with six equivalent Pr(1)Si8Pd4 cuboctahedra. In the second Pr site, Pr(2) is bonded to twelve equivalent Si(1) atoms to form PrSi12 cuboctahedra that share edges with twelve equivalent Pr(1)Si8Pd4 cuboctahedra, faces with two equivalent Pr(2)Si12 cuboctahedra, and faces with six equivalent Pr(1)Si8Pd4 cuboctahedra. Pd(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Pr(2), four equivalent Pr(1), one Pd(1), and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Pr2Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.303
_cell_length_b   8.289
_cell_length_c   8.289
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.043
_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
  Pd  Pd0  1  0.000  0.333  0.667  1.0
  Pd  Pd1  1  0.000  0.667  0.333  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Pr  Pr3  1  0.500  0.000  0.500  1.0
  Pr  Pr4  1  0.500  0.500  0.500  1.0
  Pr  Pr5  1  0.500  0.000  0.000  1.0
  Si  Si6  1  1.000  0.166  0.331  1.0
  Si  Si7  1  0.000  0.834  0.669  1.0
  Si  Si8  1  1.000  0.669  0.834  1.0
  Si  Si9  1  0.000  0.331  0.166  1.0
  Si  Si10  1  1.000  0.166  0.834  1.0
  Si  Si11  1  0.000  0.834  0.166  1.0
[/CIF]
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