The structure described by Pu3Al is Uranium Silicide structured and crystallizes in the tetragonal P4/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 Al(1) atoms to form PuPu8Al4 cuboctahedra that share corners with twelve equivalent Pu(1)Pu8Al4 cuboctahedra, edges with eight equivalent Al(1)Pu12 cuboctahedra, edges with sixteen equivalent Pu(2)Pu8Al4 cuboctahedra, faces with four equivalent Al(1)Pu12 cuboctahedra, faces with six equivalent Pu(1)Pu8Al4 cuboctahedra, and faces with eight equivalent Pu(2)Pu8Al4 cuboctahedra. In the second Pu site, Pu(2) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent Al(1) atoms to form distorted PuPu8Al4 cuboctahedra that share corners with twelve equivalent Pu(2)Pu8Al4 cuboctahedra, edges with eight equivalent Pu(1)Pu8Al4 cuboctahedra, edges with eight equivalent Pu(2)Pu8Al4 cuboctahedra, edges with eight equivalent Al(1)Pu12 cuboctahedra, faces with four equivalent Pu(1)Pu8Al4 cuboctahedra, faces with four equivalent Al(1)Pu12 cuboctahedra, and faces with ten equivalent Pu(2)Pu8Al4 cuboctahedra. Al(1) is bonded to four equivalent Pu(1) and eight equivalent Pu(2) atoms to form AlPu12 cuboctahedra that share corners with twelve equivalent Al(1)Pu12 cuboctahedra, edges with eight equivalent Pu(1)Pu8Al4 cuboctahedra, edges with sixteen equivalent Pu(2)Pu8Al4 cuboctahedra, faces with four equivalent Pu(1)Pu8Al4 cuboctahedra, faces with six equivalent Al(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(2)Pu8Al4 cuboctahedra. is represented by the CIF card [CIF]
data_Pu3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.446
_cell_length_b   4.446
_cell_length_c   4.286
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.723
_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  0.500  0.500  0.000  1.0
  Pu  Pu1  1  0.500  0.000  0.500  1.0
  Pu  Pu2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Pu3Al is Uranium Silicide structured and crystallizes in the tetragonal P4/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 Al(1) atoms to form PuPu8Al4 cuboctahedra that share corners with twelve equivalent Pu(1)Pu8Al4 cuboctahedra, edges with eight equivalent Al(1)Pu12 cuboctahedra, edges with sixteen equivalent Pu(2)Pu8Al4 cuboctahedra, faces with four equivalent Al(1)Pu12 cuboctahedra, faces with six equivalent Pu(1)Pu8Al4 cuboctahedra, and faces with eight equivalent Pu(2)Pu8Al4 cuboctahedra. In the second Pu site, Pu(2) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent Al(1) atoms to form distorted PuPu8Al4 cuboctahedra that share corners with twelve equivalent Pu(2)Pu8Al4 cuboctahedra, edges with eight equivalent Pu(1)Pu8Al4 cuboctahedra, edges with eight equivalent Pu(2)Pu8Al4 cuboctahedra, edges with eight equivalent Al(1)Pu12 cuboctahedra, faces with four equivalent Pu(1)Pu8Al4 cuboctahedra, faces with four equivalent Al(1)Pu12 cuboctahedra, and faces with ten equivalent Pu(2)Pu8Al4 cuboctahedra. Al(1) is bonded to four equivalent Pu(1) and eight equivalent Pu(2) atoms to form AlPu12 cuboctahedra that share corners with twelve equivalent Al(1)Pu12 cuboctahedra, edges with eight equivalent Pu(1)Pu8Al4 cuboctahedra, edges with sixteen equivalent Pu(2)Pu8Al4 cuboctahedra, faces with four equivalent Pu(1)Pu8Al4 cuboctahedra, faces with six equivalent Al(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(2)Pu8Al4 cuboctahedra. is represented by the CIF card [CIF]
data_Pu3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.446
_cell_length_b   4.446
_cell_length_c   4.286
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.723
_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  0.500  0.500  0.000  1.0
  Pu  Pu1  1  0.500  0.000  0.500  1.0
  Pu  Pu2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
[/CIF]
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