The compound described by Pu3Yb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to eight Pu(1,1,1) and four equivalent Yb(1) atoms to form PuYb4Pu8 cuboctahedra that share corners with four equivalent Yb(1)Pu12 cuboctahedra; corners with fourteen Pu(1,1)Yb4Pu8 cuboctahedra; edges with six equivalent Yb(1)Pu12 cuboctahedra; edges with twelve Pu(1,1,1)Yb4Pu8 cuboctahedra; faces with four equivalent Yb(1)Pu12 cuboctahedra; and faces with sixteen Pu(1,1,1)Yb4Pu8 cuboctahedra. In the second Pu site, Pu(1) is bonded to eight Pu(1,1,1) and four equivalent Yb(1) atoms to form PuYb4Pu8 cuboctahedra that share corners with four equivalent Yb(1)Pu12 cuboctahedra; corners with fourteen Pu(1,1)Yb4Pu8 cuboctahedra; edges with six equivalent Yb(1)Pu12 cuboctahedra; edges with twelve Pu(1,1,1)Yb4Pu8 cuboctahedra; faces with four equivalent Yb(1)Pu12 cuboctahedra; and faces with sixteen Pu(1,1,1)Yb4Pu8 cuboctahedra. In the third Pu site, Pu(1) is bonded to eight Pu(1,1) and four equivalent Yb(1) atoms to form PuYb4Pu8 cuboctahedra that share corners with four equivalent Yb(1)Pu12 cuboctahedra; corners with fourteen Pu(1,1,1)Yb4Pu8 cuboctahedra; edges with six equivalent Yb(1)Pu12 cuboctahedra; edges with twelve Pu(1,1)Yb4Pu8 cuboctahedra; faces with four equivalent Yb(1)Pu12 cuboctahedra; and faces with sixteen Pu(1,1,1)Yb4Pu8 cuboctahedra. Yb(1) is bonded to twelve Pu(1,1,1) atoms to form YbPu12 cuboctahedra that share corners with six equivalent Yb(1)Pu12 cuboctahedra; corners with twelve Pu(1,1,1)Yb4Pu8 cuboctahedra; edges with eighteen Pu(1,1,1)Yb4Pu8 cuboctahedra; faces with eight equivalent Yb(1)Pu12 cuboctahedra; and faces with twelve Pu(1,1,1)Yb4Pu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbPu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.884
_cell_length_b   6.884
_cell_length_c   5.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   223.993
_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
  Yb  Yb0  1  0.333  0.667  0.750  1.0
  Yb  Yb1  1  0.667  0.333  0.250  1.0
  Pu  Pu2  1  0.163  0.325  0.250  1.0
  Pu  Pu3  1  0.675  0.837  0.250  1.0
  Pu  Pu4  1  0.163  0.837  0.250  1.0
  Pu  Pu5  1  0.837  0.675  0.750  1.0
  Pu  Pu6  1  0.325  0.163  0.750  1.0
  Pu  Pu7  1  0.837  0.163  0.750  1.0
[/CIF]
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The compound described by Pu3Yb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to eight Pu(1,1,1) and four equivalent Yb(1) atoms to form PuYb4Pu8 cuboctahedra that share corners with four equivalent Yb(1)Pu12 cuboctahedra; corners with fourteen Pu(1,1)Yb4Pu8 cuboctahedra; edges with six equivalent Yb(1)Pu12 cuboctahedra; edges with twelve Pu(1,1,1)Yb4Pu8 cuboctahedra; faces with four equivalent Yb(1)Pu12 cuboctahedra; and faces with sixteen Pu(1,1,1)Yb4Pu8 cuboctahedra. In the second Pu site, Pu(1) is bonded to eight Pu(1,1,1) and four equivalent Yb(1) atoms to form PuYb4Pu8 cuboctahedra that share corners with four equivalent Yb(1)Pu12 cuboctahedra; corners with fourteen Pu(1,1)Yb4Pu8 cuboctahedra; edges with six equivalent Yb(1)Pu12 cuboctahedra; edges with twelve Pu(1,1,1)Yb4Pu8 cuboctahedra; faces with four equivalent Yb(1)Pu12 cuboctahedra; and faces with sixteen Pu(1,1,1)Yb4Pu8 cuboctahedra. In the third Pu site, Pu(1) is bonded to eight Pu(1,1) and four equivalent Yb(1) atoms to form PuYb4Pu8 cuboctahedra that share corners with four equivalent Yb(1)Pu12 cuboctahedra; corners with fourteen Pu(1,1,1)Yb4Pu8 cuboctahedra; edges with six equivalent Yb(1)Pu12 cuboctahedra; edges with twelve Pu(1,1)Yb4Pu8 cuboctahedra; faces with four equivalent Yb(1)Pu12 cuboctahedra; and faces with sixteen Pu(1,1,1)Yb4Pu8 cuboctahedra. Yb(1) is bonded to twelve Pu(1,1,1) atoms to form YbPu12 cuboctahedra that share corners with six equivalent Yb(1)Pu12 cuboctahedra; corners with twelve Pu(1,1,1)Yb4Pu8 cuboctahedra; edges with eighteen Pu(1,1,1)Yb4Pu8 cuboctahedra; faces with eight equivalent Yb(1)Pu12 cuboctahedra; and faces with twelve Pu(1,1,1)Yb4Pu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbPu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.884
_cell_length_b   6.884
_cell_length_c   5.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   223.993
_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
  Yb  Yb0  1  0.333  0.667  0.750  1.0
  Yb  Yb1  1  0.667  0.333  0.250  1.0
  Pu  Pu2  1  0.163  0.325  0.250  1.0
  Pu  Pu3  1  0.675  0.837  0.250  1.0
  Pu  Pu4  1  0.163  0.837  0.250  1.0
  Pu  Pu5  1  0.837  0.675  0.750  1.0
  Pu  Pu6  1  0.325  0.163  0.750  1.0
  Pu  Pu7  1  0.837  0.163  0.750  1.0
[/CIF]
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