The material described by PuPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Pu(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form a mixture of corner, edge, and face-sharing PuPd12 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Pu(1) atoms to form a mixture of distorted corner and edge-sharing PdPu4 cuboctahedra. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to four equivalent Pu(1) atoms. is represented by the CIF file [CIF]
data_PuPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.070
_cell_length_b   5.070
_cell_length_c   5.070
_cell_angle_alpha   131.713
_cell_angle_beta   131.713
_cell_angle_gamma   70.682
_symmetry_Int_Tables_number   1
_cell_volume   71.156
_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
  Pu  Pu0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.750  0.250  0.500  1.0
  Pd  Pd2  1  0.250  0.750  0.500  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by PuPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Pu(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form a mixture of corner, edge, and face-sharing PuPd12 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Pu(1) atoms to form a mixture of distorted corner and edge-sharing PdPu4 cuboctahedra. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to four equivalent Pu(1) atoms. is represented by the CIF file [CIF]
data_PuPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.070
_cell_length_b   5.070
_cell_length_c   5.070
_cell_angle_alpha   131.713
_cell_angle_beta   131.713
_cell_angle_gamma   70.682
_symmetry_Int_Tables_number   1
_cell_volume   71.156
_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
  Pu  Pu0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.750  0.250  0.500  1.0
  Pd  Pd2  1  0.250  0.750  0.500  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
[/CIF]
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