The compound described by PuPa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Pu(1) is bonded to four equivalent Pa(2) and eight equivalent Pa(1) atoms to form PuPa12 cuboctahedra that share corners with four equivalent Pu(1)Pa12 cuboctahedra, corners with eight equivalent Pa(2)Pu4Pa8 cuboctahedra, edges with eight equivalent Pu(1)Pa12 cuboctahedra, edges with sixteen equivalent Pa(1)Pu4Pa8 cuboctahedra, faces with four equivalent Pu(1)Pa12 cuboctahedra, faces with six equivalent Pa(2)Pu4Pa8 cuboctahedra, and faces with eight equivalent Pa(1)Pu4Pa8 cuboctahedra. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded to four equivalent Pu(1), four equivalent Pa(1), and four equivalent Pa(2) atoms to form PaPu4Pa8 cuboctahedra that share corners with twelve equivalent Pa(1)Pu4Pa8 cuboctahedra, edges with eight equivalent Pu(1)Pa12 cuboctahedra, edges with eight equivalent Pa(1)Pu4Pa8 cuboctahedra, edges with eight equivalent Pa(2)Pu4Pa8 cuboctahedra, faces with four equivalent Pu(1)Pa12 cuboctahedra, faces with four equivalent Pa(2)Pu4Pa8 cuboctahedra, and faces with ten equivalent Pa(1)Pu4Pa8 cuboctahedra. In the second Pa site, Pa(2) is bonded to four equivalent Pu(1) and eight equivalent Pa(1) atoms to form PaPu4Pa8 cuboctahedra that share corners with four equivalent Pa(2)Pu4Pa8 cuboctahedra, corners with eight equivalent Pu(1)Pa12 cuboctahedra, edges with eight equivalent Pa(2)Pu4Pa8 cuboctahedra, edges with sixteen equivalent Pa(1)Pu4Pa8 cuboctahedra, faces with four equivalent Pa(2)Pu4Pa8 cuboctahedra, faces with six equivalent Pu(1)Pa12 cuboctahedra, and faces with eight equivalent Pa(1)Pu4Pa8 cuboctahedra. is represented by the CIF file [CIF]
data_PuPa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.592
_cell_length_b   5.592
_cell_length_c   5.592
_cell_angle_alpha   132.322
_cell_angle_beta   132.322
_cell_angle_gamma   69.721
_symmetry_Int_Tables_number   1
_cell_volume   93.748
_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  0.000  0.000  0.000  1.0
  Pa  Pa1  1  0.750  0.250  0.500  1.0
  Pa  Pa2  1  0.250  0.750  0.500  1.0
  Pa  Pa3  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by PuPa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Pu(1) is bonded to four equivalent Pa(2) and eight equivalent Pa(1) atoms to form PuPa12 cuboctahedra that share corners with four equivalent Pu(1)Pa12 cuboctahedra, corners with eight equivalent Pa(2)Pu4Pa8 cuboctahedra, edges with eight equivalent Pu(1)Pa12 cuboctahedra, edges with sixteen equivalent Pa(1)Pu4Pa8 cuboctahedra, faces with four equivalent Pu(1)Pa12 cuboctahedra, faces with six equivalent Pa(2)Pu4Pa8 cuboctahedra, and faces with eight equivalent Pa(1)Pu4Pa8 cuboctahedra. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded to four equivalent Pu(1), four equivalent Pa(1), and four equivalent Pa(2) atoms to form PaPu4Pa8 cuboctahedra that share corners with twelve equivalent Pa(1)Pu4Pa8 cuboctahedra, edges with eight equivalent Pu(1)Pa12 cuboctahedra, edges with eight equivalent Pa(1)Pu4Pa8 cuboctahedra, edges with eight equivalent Pa(2)Pu4Pa8 cuboctahedra, faces with four equivalent Pu(1)Pa12 cuboctahedra, faces with four equivalent Pa(2)Pu4Pa8 cuboctahedra, and faces with ten equivalent Pa(1)Pu4Pa8 cuboctahedra. In the second Pa site, Pa(2) is bonded to four equivalent Pu(1) and eight equivalent Pa(1) atoms to form PaPu4Pa8 cuboctahedra that share corners with four equivalent Pa(2)Pu4Pa8 cuboctahedra, corners with eight equivalent Pu(1)Pa12 cuboctahedra, edges with eight equivalent Pa(2)Pu4Pa8 cuboctahedra, edges with sixteen equivalent Pa(1)Pu4Pa8 cuboctahedra, faces with four equivalent Pa(2)Pu4Pa8 cuboctahedra, faces with six equivalent Pu(1)Pa12 cuboctahedra, and faces with eight equivalent Pa(1)Pu4Pa8 cuboctahedra. is represented by the CIF file [CIF]
data_PuPa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.592
_cell_length_b   5.592
_cell_length_c   5.592
_cell_angle_alpha   132.322
_cell_angle_beta   132.322
_cell_angle_gamma   69.721
_symmetry_Int_Tables_number   1
_cell_volume   93.748
_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  0.000  0.000  0.000  1.0
  Pa  Pa1  1  0.750  0.250  0.500  1.0
  Pa  Pa2  1  0.250  0.750  0.500  1.0
  Pa  Pa3  1  0.500  0.500  0.000  1.0
[/CIF]
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