The compound described by PuGa3 crystallizes in the trigonal R-3m space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to three equivalent Ga(2) and nine equivalent Ga(1) atoms to form a mixture of face and corner-sharing PuGa12 cuboctahedra. In the second Pu site, Pu(2) is bonded to three equivalent Ga(1) and nine equivalent Ga(2) atoms to form a mixture of distorted face and corner-sharing PuGa12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Pu(1), three equivalent Pu(2), two equivalent Ga(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(1) is bonded in a 12-coordinate geometry to one Pu(2), three equivalent Pu(1), two equivalent Ga(2), and six equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_PuGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.020
_cell_length_b   10.020
_cell_length_c   10.020
_cell_angle_alpha   35.946
_cell_angle_beta   35.946
_cell_angle_gamma   35.946
_symmetry_Int_Tables_number   1
_cell_volume   310.083
_cell_formula_units_Z   4
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  0.712  0.712  0.712  1.0
  Pu  Pu1  1  0.288  0.288  0.288  1.0
  Pu  Pu2  1  0.871  0.871  0.871  1.0
  Pu  Pu3  1  0.129  0.129  0.129  1.0
  Ga  Ga4  1  0.206  0.206  0.712  1.0
  Ga  Ga5  1  0.712  0.206  0.206  1.0
  Ga  Ga6  1  0.206  0.712  0.206  1.0
  Ga  Ga7  1  0.794  0.288  0.794  1.0
  Ga  Ga8  1  0.168  0.603  0.603  1.0
  Ga  Ga9  1  0.603  0.603  0.168  1.0
  Ga  Ga10  1  0.603  0.168  0.603  1.0
  Ga  Ga11  1  0.397  0.832  0.397  1.0
  Ga  Ga12  1  0.832  0.397  0.397  1.0
  Ga  Ga13  1  0.397  0.397  0.832  1.0
  Ga  Ga14  1  0.288  0.794  0.794  1.0
  Ga  Ga15  1  0.794  0.794  0.288  1.0
[/CIF]
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The compound described by PuGa3 crystallizes in the trigonal R-3m space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to three equivalent Ga(2) and nine equivalent Ga(1) atoms to form a mixture of face and corner-sharing PuGa12 cuboctahedra. In the second Pu site, Pu(2) is bonded to three equivalent Ga(1) and nine equivalent Ga(2) atoms to form a mixture of distorted face and corner-sharing PuGa12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Pu(1), three equivalent Pu(2), two equivalent Ga(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(1) is bonded in a 12-coordinate geometry to one Pu(2), three equivalent Pu(1), two equivalent Ga(2), and six equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_PuGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.020
_cell_length_b   10.020
_cell_length_c   10.020
_cell_angle_alpha   35.946
_cell_angle_beta   35.946
_cell_angle_gamma   35.946
_symmetry_Int_Tables_number   1
_cell_volume   310.083
_cell_formula_units_Z   4
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  0.712  0.712  0.712  1.0
  Pu  Pu1  1  0.288  0.288  0.288  1.0
  Pu  Pu2  1  0.871  0.871  0.871  1.0
  Pu  Pu3  1  0.129  0.129  0.129  1.0
  Ga  Ga4  1  0.206  0.206  0.712  1.0
  Ga  Ga5  1  0.712  0.206  0.206  1.0
  Ga  Ga6  1  0.206  0.712  0.206  1.0
  Ga  Ga7  1  0.794  0.288  0.794  1.0
  Ga  Ga8  1  0.168  0.603  0.603  1.0
  Ga  Ga9  1  0.603  0.603  0.168  1.0
  Ga  Ga10  1  0.603  0.168  0.603  1.0
  Ga  Ga11  1  0.397  0.832  0.397  1.0
  Ga  Ga12  1  0.832  0.397  0.397  1.0
  Ga  Ga13  1  0.397  0.397  0.832  1.0
  Ga  Ga14  1  0.288  0.794  0.794  1.0
  Ga  Ga15  1  0.794  0.794  0.288  1.0
[/CIF]
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