The material described by Pu3La 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 eight equivalent Pu(2) and four equivalent La(1) atoms to form PuLa4Pu8 cuboctahedra that share corners with four equivalent Pu(1)La4Pu8 cuboctahedra, corners with eight equivalent La(1)Pu12 cuboctahedra, edges with eight equivalent Pu(1)La4Pu8 cuboctahedra, edges with sixteen equivalent Pu(2)La4Pu8 cuboctahedra, faces with four equivalent Pu(1)La4Pu8 cuboctahedra, faces with six equivalent La(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(2)La4Pu8 cuboctahedra. In the second Pu site, Pu(2) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent La(1) atoms to form PuLa4Pu8 cuboctahedra that share corners with twelve equivalent Pu(2)La4Pu8 cuboctahedra, edges with eight equivalent Pu(1)La4Pu8 cuboctahedra, edges with eight equivalent Pu(2)La4Pu8 cuboctahedra, edges with eight equivalent La(1)Pu12 cuboctahedra, faces with four equivalent Pu(1)La4Pu8 cuboctahedra, faces with four equivalent La(1)Pu12 cuboctahedra, and faces with ten equivalent Pu(2)La4Pu8 cuboctahedra. La(1) is bonded to four equivalent Pu(1) and eight equivalent Pu(2) atoms to form LaPu12 cuboctahedra that share corners with four equivalent La(1)Pu12 cuboctahedra, corners with eight equivalent Pu(1)La4Pu8 cuboctahedra, edges with eight equivalent La(1)Pu12 cuboctahedra, edges with sixteen equivalent Pu(2)La4Pu8 cuboctahedra, faces with four equivalent La(1)Pu12 cuboctahedra, faces with six equivalent Pu(1)La4Pu8 cuboctahedra, and faces with eight equivalent Pu(2)La4Pu8 cuboctahedra. is represented by the CIF card [CIF]
data_LaPu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.029
_cell_length_b   6.029
_cell_length_c   6.029
_cell_angle_alpha   131.961
_cell_angle_beta   131.961
_cell_angle_gamma   70.291
_symmetry_Int_Tables_number   1
_cell_volume   118.765
_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
  La  La0  1  0.000  0.000  0.000  1.0
  Pu  Pu1  1  0.500  0.500  0.000  1.0
  Pu  Pu2  1  0.250  0.750  0.500  1.0
  Pu  Pu3  1  0.750  0.250  0.500  1.0
[/CIF]
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The material described by Pu3La 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 eight equivalent Pu(2) and four equivalent La(1) atoms to form PuLa4Pu8 cuboctahedra that share corners with four equivalent Pu(1)La4Pu8 cuboctahedra, corners with eight equivalent La(1)Pu12 cuboctahedra, edges with eight equivalent Pu(1)La4Pu8 cuboctahedra, edges with sixteen equivalent Pu(2)La4Pu8 cuboctahedra, faces with four equivalent Pu(1)La4Pu8 cuboctahedra, faces with six equivalent La(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(2)La4Pu8 cuboctahedra. In the second Pu site, Pu(2) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent La(1) atoms to form PuLa4Pu8 cuboctahedra that share corners with twelve equivalent Pu(2)La4Pu8 cuboctahedra, edges with eight equivalent Pu(1)La4Pu8 cuboctahedra, edges with eight equivalent Pu(2)La4Pu8 cuboctahedra, edges with eight equivalent La(1)Pu12 cuboctahedra, faces with four equivalent Pu(1)La4Pu8 cuboctahedra, faces with four equivalent La(1)Pu12 cuboctahedra, and faces with ten equivalent Pu(2)La4Pu8 cuboctahedra. La(1) is bonded to four equivalent Pu(1) and eight equivalent Pu(2) atoms to form LaPu12 cuboctahedra that share corners with four equivalent La(1)Pu12 cuboctahedra, corners with eight equivalent Pu(1)La4Pu8 cuboctahedra, edges with eight equivalent La(1)Pu12 cuboctahedra, edges with sixteen equivalent Pu(2)La4Pu8 cuboctahedra, faces with four equivalent La(1)Pu12 cuboctahedra, faces with six equivalent Pu(1)La4Pu8 cuboctahedra, and faces with eight equivalent Pu(2)La4Pu8 cuboctahedra. is represented by the CIF card [CIF]
data_LaPu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.029
_cell_length_b   6.029
_cell_length_c   6.029
_cell_angle_alpha   131.961
_cell_angle_beta   131.961
_cell_angle_gamma   70.291
_symmetry_Int_Tables_number   1
_cell_volume   118.765
_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
  La  La0  1  0.000  0.000  0.000  1.0
  Pu  Pu1  1  0.500  0.500  0.000  1.0
  Pu  Pu2  1  0.250  0.750  0.500  1.0
  Pu  Pu3  1  0.750  0.250  0.500  1.0
[/CIF]
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