The material structure described by Pr3Pd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Pr(1), four equivalent Pr(2), and four equivalent Pd(1) atoms to form distorted PrPr8Pd4 cuboctahedra that share corners with twelve equivalent Pr(1)Pr8Pd4 cuboctahedra, edges with eight equivalent Pr(1)Pr8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Pr12 cuboctahedra, faces with four equivalent Pd(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Pr8Pd4 cuboctahedra. In the second Pr site, Pr(2) is bonded in a square co-planar geometry to eight equivalent Pr(1) and four equivalent Pd(1) atoms. Pd(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form PdPr12 cuboctahedra that share corners with four equivalent Pd(1)Pr12 cuboctahedra, edges with eight equivalent Pd(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Pd4 cuboctahedra, faces with four equivalent Pd(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Pd4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.359
_cell_length_b   6.359
_cell_length_c   6.359
_cell_angle_alpha   137.574
_cell_angle_beta   137.574
_cell_angle_gamma   61.556
_symmetry_Int_Tables_number   1
_cell_volume   115.718
_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
  Pr  Pr0  1  0.750  0.250  0.500  1.0
  Pr  Pr1  1  0.250  0.750  0.500  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Pr3Pd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Pr(1), four equivalent Pr(2), and four equivalent Pd(1) atoms to form distorted PrPr8Pd4 cuboctahedra that share corners with twelve equivalent Pr(1)Pr8Pd4 cuboctahedra, edges with eight equivalent Pr(1)Pr8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Pr12 cuboctahedra, faces with four equivalent Pd(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Pr8Pd4 cuboctahedra. In the second Pr site, Pr(2) is bonded in a square co-planar geometry to eight equivalent Pr(1) and four equivalent Pd(1) atoms. Pd(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form PdPr12 cuboctahedra that share corners with four equivalent Pd(1)Pr12 cuboctahedra, edges with eight equivalent Pd(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Pd4 cuboctahedra, faces with four equivalent Pd(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Pd4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.359
_cell_length_b   6.359
_cell_length_c   6.359
_cell_angle_alpha   137.574
_cell_angle_beta   137.574
_cell_angle_gamma   61.556
_symmetry_Int_Tables_number   1
_cell_volume   115.718
_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
  Pr  Pr0  1  0.750  0.250  0.500  1.0
  Pr  Pr1  1  0.250  0.750  0.500  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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