The material described by Pu3Ce is beta Cu3Ti-like structured and crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to four equivalent Pu(2), four equivalent Pu(3), and four equivalent Ce(1) atoms to form distorted PuCe4Pu8 cuboctahedra that share corners with four equivalent Pu(2)Ce4Pu8 cuboctahedra, corners with four equivalent Pu(3)Ce4Pu8 cuboctahedra, corners with four equivalent Ce(1)Pu12 cuboctahedra, corners with six equivalent Pu(1)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(2)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(3)Ce4Pu8 cuboctahedra, edges with six equivalent Ce(1)Pu12 cuboctahedra, faces with four equivalent Pu(2)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(3)Ce4Pu8 cuboctahedra, faces with four equivalent Ce(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(1)Ce4Pu8 cuboctahedra. In the second Pu site, Pu(2) is bonded to four equivalent Pu(1), four equivalent Pu(3), and four equivalent Ce(1) atoms to form distorted PuCe4Pu8 cuboctahedra that share corners with four equivalent Pu(1)Ce4Pu8 cuboctahedra, corners with four equivalent Pu(3)Ce4Pu8 cuboctahedra, corners with four equivalent Ce(1)Pu12 cuboctahedra, corners with six equivalent Pu(2)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(1)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(3)Ce4Pu8 cuboctahedra, edges with six equivalent Ce(1)Pu12 cuboctahedra, faces with four equivalent Pu(1)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(3)Ce4Pu8 cuboctahedra, faces with four equivalent Ce(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(2)Ce4Pu8 cuboctahedra. In the third Pu site, Pu(3) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent Ce(1) atoms to form distorted PuCe4Pu8 cuboctahedra that share corners with four equivalent Pu(1)Ce4Pu8 cuboctahedra, corners with four equivalent Pu(2)Ce4Pu8 cuboctahedra, corners with four equivalent Ce(1)Pu12 cuboctahedra, corners with six equivalent Pu(3)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(1)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(2)Ce4Pu8 cuboctahedra, edges with six equivalent Ce(1)Pu12 cuboctahedra, faces with four equivalent Pu(1)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(2)Ce4Pu8 cuboctahedra, faces with four equivalent Ce(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(3)Ce4Pu8 cuboctahedra. Ce(1) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent Pu(3) atoms to form CePu12 cuboctahedra that share corners with four equivalent Pu(1)Ce4Pu8 cuboctahedra, corners with four equivalent Pu(2)Ce4Pu8 cuboctahedra, corners with four equivalent Pu(3)Ce4Pu8 cuboctahedra, corners with six equivalent Ce(1)Pu12 cuboctahedra, edges with six equivalent Pu(1)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(2)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(3)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(1)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(2)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(3)Ce4Pu8 cuboctahedra, and faces with eight equivalent Ce(1)Pu12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CePu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.772
_cell_length_b   6.733
_cell_length_c   5.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.042
_symmetry_Int_Tables_number   1
_cell_volume   205.729
_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
  Ce  Ce0  1  0.334  0.667  0.750  1.0
  Ce  Ce1  1  0.667  0.333  0.250  1.0
  Pu  Pu2  1  0.164  0.328  0.250  1.0
  Pu  Pu3  1  0.672  0.836  0.250  1.0
  Pu  Pu4  1  0.164  0.836  0.250  1.0
  Pu  Pu5  1  0.836  0.672  0.750  1.0
  Pu  Pu6  1  0.328  0.164  0.750  1.0
  Pu  Pu7  1  0.836  0.164  0.750  1.0
[/CIF]
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The material described by Pu3Ce is beta Cu3Ti-like structured and crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to four equivalent Pu(2), four equivalent Pu(3), and four equivalent Ce(1) atoms to form distorted PuCe4Pu8 cuboctahedra that share corners with four equivalent Pu(2)Ce4Pu8 cuboctahedra, corners with four equivalent Pu(3)Ce4Pu8 cuboctahedra, corners with four equivalent Ce(1)Pu12 cuboctahedra, corners with six equivalent Pu(1)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(2)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(3)Ce4Pu8 cuboctahedra, edges with six equivalent Ce(1)Pu12 cuboctahedra, faces with four equivalent Pu(2)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(3)Ce4Pu8 cuboctahedra, faces with four equivalent Ce(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(1)Ce4Pu8 cuboctahedra. In the second Pu site, Pu(2) is bonded to four equivalent Pu(1), four equivalent Pu(3), and four equivalent Ce(1) atoms to form distorted PuCe4Pu8 cuboctahedra that share corners with four equivalent Pu(1)Ce4Pu8 cuboctahedra, corners with four equivalent Pu(3)Ce4Pu8 cuboctahedra, corners with four equivalent Ce(1)Pu12 cuboctahedra, corners with six equivalent Pu(2)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(1)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(3)Ce4Pu8 cuboctahedra, edges with six equivalent Ce(1)Pu12 cuboctahedra, faces with four equivalent Pu(1)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(3)Ce4Pu8 cuboctahedra, faces with four equivalent Ce(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(2)Ce4Pu8 cuboctahedra. In the third Pu site, Pu(3) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent Ce(1) atoms to form distorted PuCe4Pu8 cuboctahedra that share corners with four equivalent Pu(1)Ce4Pu8 cuboctahedra, corners with four equivalent Pu(2)Ce4Pu8 cuboctahedra, corners with four equivalent Ce(1)Pu12 cuboctahedra, corners with six equivalent Pu(3)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(1)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(2)Ce4Pu8 cuboctahedra, edges with six equivalent Ce(1)Pu12 cuboctahedra, faces with four equivalent Pu(1)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(2)Ce4Pu8 cuboctahedra, faces with four equivalent Ce(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(3)Ce4Pu8 cuboctahedra. Ce(1) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent Pu(3) atoms to form CePu12 cuboctahedra that share corners with four equivalent Pu(1)Ce4Pu8 cuboctahedra, corners with four equivalent Pu(2)Ce4Pu8 cuboctahedra, corners with four equivalent Pu(3)Ce4Pu8 cuboctahedra, corners with six equivalent Ce(1)Pu12 cuboctahedra, edges with six equivalent Pu(1)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(2)Ce4Pu8 cuboctahedra, edges with six equivalent Pu(3)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(1)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(2)Ce4Pu8 cuboctahedra, faces with four equivalent Pu(3)Ce4Pu8 cuboctahedra, and faces with eight equivalent Ce(1)Pu12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CePu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.772
_cell_length_b   6.733
_cell_length_c   5.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.042
_symmetry_Int_Tables_number   1
_cell_volume   205.729
_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
  Ce  Ce0  1  0.334  0.667  0.750  1.0
  Ce  Ce1  1  0.667  0.333  0.250  1.0
  Pu  Pu2  1  0.164  0.328  0.250  1.0
  Pu  Pu3  1  0.672  0.836  0.250  1.0
  Pu  Pu4  1  0.164  0.836  0.250  1.0
  Pu  Pu5  1  0.836  0.672  0.750  1.0
  Pu  Pu6  1  0.328  0.164  0.750  1.0
  Pu  Pu7  1  0.836  0.164  0.750  1.0
[/CIF]
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