The material structure described by Pu3Yb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent Yb(1) atoms to form PuYb4Pu8 cuboctahedra that share corners with twelve equivalent Pu(1)Yb4Pu8 cuboctahedra, edges with eight equivalent Pu(1)Yb4Pu8 cuboctahedra, edges with eight equivalent Pu(2)Yb4Pu8 cuboctahedra, edges with eight equivalent Yb(1)Pu12 cuboctahedra, faces with four equivalent Pu(2)Yb4Pu8 cuboctahedra, faces with four equivalent Yb(1)Pu12 cuboctahedra, and faces with ten equivalent Pu(1)Yb4Pu8 cuboctahedra. In the second Pu site, Pu(2) is bonded to eight equivalent Pu(1) and four equivalent Yb(1) atoms to form PuYb4Pu8 cuboctahedra that share corners with four equivalent Pu(2)Yb4Pu8 cuboctahedra, corners with eight equivalent Yb(1)Pu12 cuboctahedra, edges with eight equivalent Pu(2)Yb4Pu8 cuboctahedra, edges with sixteen equivalent Pu(1)Yb4Pu8 cuboctahedra, faces with four equivalent Pu(2)Yb4Pu8 cuboctahedra, faces with six equivalent Yb(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(1)Yb4Pu8 cuboctahedra. Yb(1) is bonded to four equivalent Pu(2) and eight equivalent Pu(1) atoms to form YbPu12 cuboctahedra that share corners with four equivalent Yb(1)Pu12 cuboctahedra, corners with eight equivalent Pu(2)Yb4Pu8 cuboctahedra, edges with eight equivalent Yb(1)Pu12 cuboctahedra, edges with sixteen equivalent Pu(1)Yb4Pu8 cuboctahedra, faces with four equivalent Yb(1)Pu12 cuboctahedra, faces with six equivalent Pu(2)Yb4Pu8 cuboctahedra, and faces with eight equivalent Pu(1)Yb4Pu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbPu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.021
_cell_length_b   6.021
_cell_length_c   6.021
_cell_angle_alpha   132.562
_cell_angle_beta   132.562
_cell_angle_gamma   69.342
_symmetry_Int_Tables_number   1
_cell_volume   116.195
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Pu  Pu1  1  0.750  0.250  0.500  1.0
  Pu  Pu2  1  0.250  0.750  0.500  1.0
  Pu  Pu3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by Pu3Yb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent Yb(1) atoms to form PuYb4Pu8 cuboctahedra that share corners with twelve equivalent Pu(1)Yb4Pu8 cuboctahedra, edges with eight equivalent Pu(1)Yb4Pu8 cuboctahedra, edges with eight equivalent Pu(2)Yb4Pu8 cuboctahedra, edges with eight equivalent Yb(1)Pu12 cuboctahedra, faces with four equivalent Pu(2)Yb4Pu8 cuboctahedra, faces with four equivalent Yb(1)Pu12 cuboctahedra, and faces with ten equivalent Pu(1)Yb4Pu8 cuboctahedra. In the second Pu site, Pu(2) is bonded to eight equivalent Pu(1) and four equivalent Yb(1) atoms to form PuYb4Pu8 cuboctahedra that share corners with four equivalent Pu(2)Yb4Pu8 cuboctahedra, corners with eight equivalent Yb(1)Pu12 cuboctahedra, edges with eight equivalent Pu(2)Yb4Pu8 cuboctahedra, edges with sixteen equivalent Pu(1)Yb4Pu8 cuboctahedra, faces with four equivalent Pu(2)Yb4Pu8 cuboctahedra, faces with six equivalent Yb(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(1)Yb4Pu8 cuboctahedra. Yb(1) is bonded to four equivalent Pu(2) and eight equivalent Pu(1) atoms to form YbPu12 cuboctahedra that share corners with four equivalent Yb(1)Pu12 cuboctahedra, corners with eight equivalent Pu(2)Yb4Pu8 cuboctahedra, edges with eight equivalent Yb(1)Pu12 cuboctahedra, edges with sixteen equivalent Pu(1)Yb4Pu8 cuboctahedra, faces with four equivalent Yb(1)Pu12 cuboctahedra, faces with six equivalent Pu(2)Yb4Pu8 cuboctahedra, and faces with eight equivalent Pu(1)Yb4Pu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbPu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.021
_cell_length_b   6.021
_cell_length_c   6.021
_cell_angle_alpha   132.562
_cell_angle_beta   132.562
_cell_angle_gamma   69.342
_symmetry_Int_Tables_number   1
_cell_volume   116.195
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Pu  Pu1  1  0.750  0.250  0.500  1.0
  Pu  Pu2  1  0.250  0.750  0.500  1.0
  Pu  Pu3  1  0.500  0.500  0.000  1.0
[/CIF]
.