The structure described by PuNiGa crystallizes in the monoclinic Pm space group. There are three inequivalent Pu sites. In the first Pu site, Pu(1) is bonded in a 11-coordinate geometry to one Ni(3), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the second Pu site, Pu(2) is bonded in a 11-coordinate geometry to one Ni(3), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the third Pu site, Pu(3) is bonded in a 11-coordinate geometry to one Ni(3), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), two equivalent Pu(3), one Ga(1), one Ga(2), and one Ga(3) atom. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), two equivalent Pu(3), one Ga(1), one Ga(2), and one Ga(3) atom. In the third Ni site, Ni(3) is bonded in a distorted q6 geometry to one Pu(1), one Pu(2), one Pu(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Pu(1), two equivalent Pu(2), two equivalent Pu(3), one Ni(1), one Ni(2), two equivalent Ni(3), one Ga(2), and one Ga(3) atom to form a mixture of distorted edge, corner, and face-sharing GaPu6Ga2Ni4 cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent Pu(1), two equivalent Pu(2), two equivalent Pu(3), one Ni(1), one Ni(2), two equivalent Ni(3), one Ga(1), and one Ga(3) atom to form a mixture of distorted edge, corner, and face-sharing GaPu6Ga2Ni4 cuboctahedra. In the third Ga site, Ga(3) is bonded to two equivalent Pu(1), two equivalent Pu(2), two equivalent Pu(3), one Ni(1), one Ni(2), two equivalent Ni(3), one Ga(1), and one Ga(2) atom to form a mixture of distorted edge, corner, and face-sharing GaPu6Ga2Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_PuGaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.748
_cell_length_b   6.752
_cell_length_c   4.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.176
_symmetry_Int_Tables_number   1
_cell_volume   157.793
_cell_formula_units_Z   3
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  0.427  0.001  0.500  1.0
  Pu  Pu1  1  0.999  0.426  0.500  1.0
  Pu  Pu2  1  0.573  0.573  0.500  1.0
  Ga  Ga3  1  0.767  1.000  0.000  1.0
  Ga  Ga4  1  0.002  0.767  0.000  1.0
  Ga  Ga5  1  0.234  0.233  0.000  1.0
  Ni  Ni6  1  0.334  0.668  0.000  1.0
  Ni  Ni7  1  0.668  0.333  0.000  1.0
  Ni  Ni8  1  0.998  0.999  0.500  1.0
[/CIF]
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The structure described by PuNiGa crystallizes in the monoclinic Pm space group. There are three inequivalent Pu sites. In the first Pu site, Pu(1) is bonded in a 11-coordinate geometry to one Ni(3), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the second Pu site, Pu(2) is bonded in a 11-coordinate geometry to one Ni(3), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the third Pu site, Pu(3) is bonded in a 11-coordinate geometry to one Ni(3), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), two equivalent Pu(3), one Ga(1), one Ga(2), and one Ga(3) atom. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), two equivalent Pu(3), one Ga(1), one Ga(2), and one Ga(3) atom. In the third Ni site, Ni(3) is bonded in a distorted q6 geometry to one Pu(1), one Pu(2), one Pu(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Pu(1), two equivalent Pu(2), two equivalent Pu(3), one Ni(1), one Ni(2), two equivalent Ni(3), one Ga(2), and one Ga(3) atom to form a mixture of distorted edge, corner, and face-sharing GaPu6Ga2Ni4 cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent Pu(1), two equivalent Pu(2), two equivalent Pu(3), one Ni(1), one Ni(2), two equivalent Ni(3), one Ga(1), and one Ga(3) atom to form a mixture of distorted edge, corner, and face-sharing GaPu6Ga2Ni4 cuboctahedra. In the third Ga site, Ga(3) is bonded to two equivalent Pu(1), two equivalent Pu(2), two equivalent Pu(3), one Ni(1), one Ni(2), two equivalent Ni(3), one Ga(1), and one Ga(2) atom to form a mixture of distorted edge, corner, and face-sharing GaPu6Ga2Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_PuGaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.748
_cell_length_b   6.752
_cell_length_c   4.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.176
_symmetry_Int_Tables_number   1
_cell_volume   157.793
_cell_formula_units_Z   3
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  0.427  0.001  0.500  1.0
  Pu  Pu1  1  0.999  0.426  0.500  1.0
  Pu  Pu2  1  0.573  0.573  0.500  1.0
  Ga  Ga3  1  0.767  1.000  0.000  1.0
  Ga  Ga4  1  0.002  0.767  0.000  1.0
  Ga  Ga5  1  0.234  0.233  0.000  1.0
  Ni  Ni6  1  0.334  0.668  0.000  1.0
  Ni  Ni7  1  0.668  0.333  0.000  1.0
  Ni  Ni8  1  0.998  0.999  0.500  1.0
[/CIF]
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