The structure described by Pu3Ta 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 four equivalent Pu(1), four equivalent Pu(2), and four equivalent Ta(1) atoms to form PuPu8Ta4 cuboctahedra that share corners with twelve equivalent Pu(1)Pu8Ta4 cuboctahedra, edges with eight equivalent Pu(1)Pu8Ta4 cuboctahedra, edges with eight equivalent Pu(2)Pu8Ta4 cuboctahedra, edges with eight equivalent Ta(1)Pu12 cuboctahedra, faces with four equivalent Pu(2)Pu8Ta4 cuboctahedra, faces with four equivalent Ta(1)Pu12 cuboctahedra, and faces with ten equivalent Pu(1)Pu8Ta4 cuboctahedra. In the second Pu site, Pu(2) is bonded to eight equivalent Pu(1) and four equivalent Ta(1) atoms to form PuPu8Ta4 cuboctahedra that share corners with four equivalent Pu(2)Pu8Ta4 cuboctahedra, corners with eight equivalent Ta(1)Pu12 cuboctahedra, edges with eight equivalent Pu(2)Pu8Ta4 cuboctahedra, edges with sixteen equivalent Pu(1)Pu8Ta4 cuboctahedra, faces with four equivalent Pu(2)Pu8Ta4 cuboctahedra, faces with six equivalent Ta(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(1)Pu8Ta4 cuboctahedra. Ta(1) is bonded to four equivalent Pu(2) and eight equivalent Pu(1) atoms to form TaPu12 cuboctahedra that share corners with four equivalent Ta(1)Pu12 cuboctahedra, corners with eight equivalent Pu(2)Pu8Ta4 cuboctahedra, edges with eight equivalent Ta(1)Pu12 cuboctahedra, edges with sixteen equivalent Pu(1)Pu8Ta4 cuboctahedra, faces with four equivalent Ta(1)Pu12 cuboctahedra, faces with six equivalent Pu(2)Pu8Ta4 cuboctahedra, and faces with eight equivalent Pu(1)Pu8Ta4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pu3Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.396
_cell_length_b   5.396
_cell_length_c   5.396
_cell_angle_alpha   130.424
_cell_angle_beta   130.424
_cell_angle_gamma   72.729
_symmetry_Int_Tables_number   1
_cell_volume   88.967
_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
  Pu  Pu0  1  0.750  0.250  0.500  1.0
  Pu  Pu1  1  0.250  0.750  0.500  1.0
  Pu  Pu2  1  0.500  0.500  0.000  1.0
  Ta  Ta3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Pu3Ta 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 four equivalent Pu(1), four equivalent Pu(2), and four equivalent Ta(1) atoms to form PuPu8Ta4 cuboctahedra that share corners with twelve equivalent Pu(1)Pu8Ta4 cuboctahedra, edges with eight equivalent Pu(1)Pu8Ta4 cuboctahedra, edges with eight equivalent Pu(2)Pu8Ta4 cuboctahedra, edges with eight equivalent Ta(1)Pu12 cuboctahedra, faces with four equivalent Pu(2)Pu8Ta4 cuboctahedra, faces with four equivalent Ta(1)Pu12 cuboctahedra, and faces with ten equivalent Pu(1)Pu8Ta4 cuboctahedra. In the second Pu site, Pu(2) is bonded to eight equivalent Pu(1) and four equivalent Ta(1) atoms to form PuPu8Ta4 cuboctahedra that share corners with four equivalent Pu(2)Pu8Ta4 cuboctahedra, corners with eight equivalent Ta(1)Pu12 cuboctahedra, edges with eight equivalent Pu(2)Pu8Ta4 cuboctahedra, edges with sixteen equivalent Pu(1)Pu8Ta4 cuboctahedra, faces with four equivalent Pu(2)Pu8Ta4 cuboctahedra, faces with six equivalent Ta(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(1)Pu8Ta4 cuboctahedra. Ta(1) is bonded to four equivalent Pu(2) and eight equivalent Pu(1) atoms to form TaPu12 cuboctahedra that share corners with four equivalent Ta(1)Pu12 cuboctahedra, corners with eight equivalent Pu(2)Pu8Ta4 cuboctahedra, edges with eight equivalent Ta(1)Pu12 cuboctahedra, edges with sixteen equivalent Pu(1)Pu8Ta4 cuboctahedra, faces with four equivalent Ta(1)Pu12 cuboctahedra, faces with six equivalent Pu(2)Pu8Ta4 cuboctahedra, and faces with eight equivalent Pu(1)Pu8Ta4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pu3Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.396
_cell_length_b   5.396
_cell_length_c   5.396
_cell_angle_alpha   130.424
_cell_angle_beta   130.424
_cell_angle_gamma   72.729
_symmetry_Int_Tables_number   1
_cell_volume   88.967
_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
  Pu  Pu0  1  0.750  0.250  0.500  1.0
  Pu  Pu1  1  0.250  0.750  0.500  1.0
  Pu  Pu2  1  0.500  0.500  0.000  1.0
  Ta  Ta3  1  0.000  0.000  0.000  1.0
[/CIF]
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