The crystal structure described by Pu4Ce is alpha La-derived structured and crystallizes in the trigonal R-3m space group. There are five inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to three equivalent Pu(2), six equivalent Pu(1), and three equivalent Ce(1) atoms to form PuCe3Pu9 cuboctahedra that share corners with three equivalent Pu(2)Pu12 cuboctahedra; corners with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with six equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with nine Pu(2,2)Pu12 cuboctahedra; faces with six equivalent Pu(1)Ce3Pu9 cuboctahedra; faces with six equivalent Pu(2)Pu12 cuboctahedra; and faces with six equivalent Ce(1)Ce6Pu6 cuboctahedra. In the second Pu site, Pu(2) is bonded to three equivalent Pu(1) and nine Pu(2,2) atoms to form PuPu12 cuboctahedra that share corners with three equivalent Pu(1)Ce3Pu9 cuboctahedra; corners with three equivalent Ce(1)Ce6Pu6 cuboctahedra; corners with six equivalent Pu(2)Pu12 cuboctahedra; edges with three equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with twelve Pu(2,2)Pu12 cuboctahedra; faces with six equivalent Pu(1)Ce3Pu9 cuboctahedra; and faces with twelve Pu(2,2)Pu12 cuboctahedra. In the third Pu site, Pu(2) is bonded to three equivalent Pu(1) and nine Pu(2,2) atoms to form PuPu12 cuboctahedra that share corners with three equivalent Pu(1)Ce3Pu9 cuboctahedra; corners with three equivalent Ce(1)Ce6Pu6 cuboctahedra; corners with six equivalent Pu(2)Pu12 cuboctahedra; edges with three equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with twelve Pu(2,2)Pu12 cuboctahedra; faces with six equivalent Pu(1)Ce3Pu9 cuboctahedra; and faces with twelve Pu(2,2)Pu12 cuboctahedra. In the fourth Pu site, Pu(2) is bonded to three equivalent Pu(1) and nine Pu(2,2) atoms to form PuPu12 cuboctahedra that share corners with three equivalent Pu(1)Ce3Pu9 cuboctahedra; corners with three equivalent Ce(1)Ce6Pu6 cuboctahedra; corners with six equivalent Pu(2)Pu12 cuboctahedra; edges with three equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with twelve Pu(2,2)Pu12 cuboctahedra; faces with six equivalent Pu(1)Ce3Pu9 cuboctahedra; and faces with twelve Pu(2,2)Pu12 cuboctahedra. In the fifth Pu site, Pu(2) is bonded to three equivalent Pu(1) and nine Pu(2,2) atoms to form PuPu12 cuboctahedra that share corners with three equivalent Pu(1)Ce3Pu9 cuboctahedra; corners with three equivalent Ce(1)Ce6Pu6 cuboctahedra; corners with six equivalent Pu(2)Pu12 cuboctahedra; edges with three equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with twelve Pu(2,2)Pu12 cuboctahedra; faces with six equivalent Pu(1)Ce3Pu9 cuboctahedra; and faces with twelve Pu(2,2)Pu12 cuboctahedra. Ce(1) is bonded to six equivalent Pu(1) and six equivalent Ce(1) atoms to form CeCe6Pu6 cuboctahedra that share corners with six Pu(2,2)Pu12 cuboctahedra; corners with six equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with six Pu(2,2)Pu12 cuboctahedra; edges with six equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with twelve equivalent Pu(1)Ce3Pu9 cuboctahedra; faces with six equivalent Ce(1)Ce6Pu6 cuboctahedra; and faces with twelve equivalent Pu(1)Ce3Pu9 cuboctahedra. is represented by the CIF card [CIF]
data_CePu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.367
_cell_length_b   13.367
_cell_length_c   13.367
_cell_angle_alpha   14.141
_cell_angle_beta   14.141
_cell_angle_gamma   14.141
_symmetry_Int_Tables_number   1
_cell_volume   124.076
_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  0.000  0.000  0.000  1.0
  Pu  Pu1  1  0.597  0.597  0.597  1.0
  Pu  Pu2  1  0.199  0.199  0.199  1.0
  Pu  Pu3  1  0.801  0.801  0.801  1.0
  Pu  Pu4  1  0.403  0.403  0.403  1.0
[/CIF]
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The crystal structure described by Pu4Ce is alpha La-derived structured and crystallizes in the trigonal R-3m space group. There are five inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to three equivalent Pu(2), six equivalent Pu(1), and three equivalent Ce(1) atoms to form PuCe3Pu9 cuboctahedra that share corners with three equivalent Pu(2)Pu12 cuboctahedra; corners with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with six equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with nine Pu(2,2)Pu12 cuboctahedra; faces with six equivalent Pu(1)Ce3Pu9 cuboctahedra; faces with six equivalent Pu(2)Pu12 cuboctahedra; and faces with six equivalent Ce(1)Ce6Pu6 cuboctahedra. In the second Pu site, Pu(2) is bonded to three equivalent Pu(1) and nine Pu(2,2) atoms to form PuPu12 cuboctahedra that share corners with three equivalent Pu(1)Ce3Pu9 cuboctahedra; corners with three equivalent Ce(1)Ce6Pu6 cuboctahedra; corners with six equivalent Pu(2)Pu12 cuboctahedra; edges with three equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with twelve Pu(2,2)Pu12 cuboctahedra; faces with six equivalent Pu(1)Ce3Pu9 cuboctahedra; and faces with twelve Pu(2,2)Pu12 cuboctahedra. In the third Pu site, Pu(2) is bonded to three equivalent Pu(1) and nine Pu(2,2) atoms to form PuPu12 cuboctahedra that share corners with three equivalent Pu(1)Ce3Pu9 cuboctahedra; corners with three equivalent Ce(1)Ce6Pu6 cuboctahedra; corners with six equivalent Pu(2)Pu12 cuboctahedra; edges with three equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with twelve Pu(2,2)Pu12 cuboctahedra; faces with six equivalent Pu(1)Ce3Pu9 cuboctahedra; and faces with twelve Pu(2,2)Pu12 cuboctahedra. In the fourth Pu site, Pu(2) is bonded to three equivalent Pu(1) and nine Pu(2,2) atoms to form PuPu12 cuboctahedra that share corners with three equivalent Pu(1)Ce3Pu9 cuboctahedra; corners with three equivalent Ce(1)Ce6Pu6 cuboctahedra; corners with six equivalent Pu(2)Pu12 cuboctahedra; edges with three equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with twelve Pu(2,2)Pu12 cuboctahedra; faces with six equivalent Pu(1)Ce3Pu9 cuboctahedra; and faces with twelve Pu(2,2)Pu12 cuboctahedra. In the fifth Pu site, Pu(2) is bonded to three equivalent Pu(1) and nine Pu(2,2) atoms to form PuPu12 cuboctahedra that share corners with three equivalent Pu(1)Ce3Pu9 cuboctahedra; corners with three equivalent Ce(1)Ce6Pu6 cuboctahedra; corners with six equivalent Pu(2)Pu12 cuboctahedra; edges with three equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with nine equivalent Pu(1)Ce3Pu9 cuboctahedra; edges with twelve Pu(2,2)Pu12 cuboctahedra; faces with six equivalent Pu(1)Ce3Pu9 cuboctahedra; and faces with twelve Pu(2,2)Pu12 cuboctahedra. Ce(1) is bonded to six equivalent Pu(1) and six equivalent Ce(1) atoms to form CeCe6Pu6 cuboctahedra that share corners with six Pu(2,2)Pu12 cuboctahedra; corners with six equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with six Pu(2,2)Pu12 cuboctahedra; edges with six equivalent Ce(1)Ce6Pu6 cuboctahedra; edges with twelve equivalent Pu(1)Ce3Pu9 cuboctahedra; faces with six equivalent Ce(1)Ce6Pu6 cuboctahedra; and faces with twelve equivalent Pu(1)Ce3Pu9 cuboctahedra. is represented by the CIF card [CIF]
data_CePu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.367
_cell_length_b   13.367
_cell_length_c   13.367
_cell_angle_alpha   14.141
_cell_angle_beta   14.141
_cell_angle_gamma   14.141
_symmetry_Int_Tables_number   1
_cell_volume   124.076
_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  0.000  0.000  0.000  1.0
  Pu  Pu1  1  0.597  0.597  0.597  1.0
  Pu  Pu2  1  0.199  0.199  0.199  1.0
  Pu  Pu3  1  0.801  0.801  0.801  1.0
  Pu  Pu4  1  0.403  0.403  0.403  1.0
[/CIF]
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