The material described by PuCe4 crystallizes in the trigonal R-3m space group. Pu(1) is bonded to six equivalent Pu(1) and six equivalent Ce(1) atoms to form PuCe6Pu6 cuboctahedra that share corners with six equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with six Ce(2,2)Ce12 cuboctahedra; edges with six equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with six Ce(2,2)Ce12 cuboctahedra; edges with twelve equivalent Ce(1)Ce9Pu3 cuboctahedra; faces with six equivalent Pu(1)Ce6Pu6 cuboctahedra; and faces with twelve equivalent Ce(1)Ce9Pu3 cuboctahedra. There are seven inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to three equivalent Pu(1), three equivalent Ce(2), and six equivalent Ce(1) atoms to form CeCe9Pu3 cuboctahedra that share corners with three equivalent Ce(2)Ce12 cuboctahedra; corners with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with six equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine Ce(2,2)Ce12 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; faces with six equivalent Pu(1)Ce6Pu6 cuboctahedra; faces with six equivalent Ce(2)Ce12 cuboctahedra; and faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra. In the second Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. In the third Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. In the fourth Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. In the fifth Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. In the sixth Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. In the seventh Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. is represented by the CIF file [CIF]
data_Ce4Pu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.374
_cell_length_b   13.374
_cell_length_c   13.374
_cell_angle_alpha   13.781
_cell_angle_beta   13.781
_cell_angle_gamma   13.781
_symmetry_Int_Tables_number   1
_cell_volume   118.125
_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
  Ce  Ce0  1  0.603  0.603  0.603  1.0
  Ce  Ce1  1  0.201  0.201  0.201  1.0
  Ce  Ce2  1  0.799  0.799  0.799  1.0
  Ce  Ce3  1  0.397  0.397  0.397  1.0
  Pu  Pu4  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by PuCe4 crystallizes in the trigonal R-3m space group. Pu(1) is bonded to six equivalent Pu(1) and six equivalent Ce(1) atoms to form PuCe6Pu6 cuboctahedra that share corners with six equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with six Ce(2,2)Ce12 cuboctahedra; edges with six equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with six Ce(2,2)Ce12 cuboctahedra; edges with twelve equivalent Ce(1)Ce9Pu3 cuboctahedra; faces with six equivalent Pu(1)Ce6Pu6 cuboctahedra; and faces with twelve equivalent Ce(1)Ce9Pu3 cuboctahedra. There are seven inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to three equivalent Pu(1), three equivalent Ce(2), and six equivalent Ce(1) atoms to form CeCe9Pu3 cuboctahedra that share corners with three equivalent Ce(2)Ce12 cuboctahedra; corners with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with six equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine Ce(2,2)Ce12 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; faces with six equivalent Pu(1)Ce6Pu6 cuboctahedra; faces with six equivalent Ce(2)Ce12 cuboctahedra; and faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra. In the second Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. In the third Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. In the fourth Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. In the fifth Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. In the sixth Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. In the seventh Ce site, Ce(2) is bonded to three equivalent Ce(1) and nine Ce(2,2) atoms to form CeCe12 cuboctahedra that share corners with three equivalent Pu(1)Ce6Pu6 cuboctahedra; corners with three equivalent Ce(1)Ce9Pu3 cuboctahedra; corners with six equivalent Ce(2)Ce12 cuboctahedra; edges with three equivalent Pu(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Ce(1)Ce9Pu3 cuboctahedra; edges with twelve Ce(2,2)Ce12 cuboctahedra; faces with six equivalent Ce(1)Ce9Pu3 cuboctahedra; and faces with twelve Ce(2,2)Ce12 cuboctahedra. is represented by the CIF file [CIF]
data_Ce4Pu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.374
_cell_length_b   13.374
_cell_length_c   13.374
_cell_angle_alpha   13.781
_cell_angle_beta   13.781
_cell_angle_gamma   13.781
_symmetry_Int_Tables_number   1
_cell_volume   118.125
_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
  Ce  Ce0  1  0.603  0.603  0.603  1.0
  Ce  Ce1  1  0.201  0.201  0.201  1.0
  Ce  Ce2  1  0.799  0.799  0.799  1.0
  Ce  Ce3  1  0.397  0.397  0.397  1.0
  Pu  Pu4  1  0.000  0.000  0.000  1.0
[/CIF]
.