The crystal structure described by PuCoAl crystallizes in the hexagonal P-62m space group. Pu(1) is bonded in a 5-coordinate geometry to one Co(2), four equivalent Co(1), and six equivalent Al(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Pu(1) and six equivalent Al(1) atoms. In the second Co site, Co(1) is bonded in a 9-coordinate geometry to six equivalent Pu(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 12-coordinate geometry to six equivalent Pu(1), two equivalent Co(1), two equivalent Co(2), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_PuAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.378
_cell_length_b   6.378
_cell_length_c   4.052
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   142.752
_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  0.428  0.428  0.500  1.0
  Pu  Pu1  1  0.572  0.000  0.500  1.0
  Pu  Pu2  1  0.000  0.572  0.500  1.0
  Al  Al3  1  0.762  0.762  0.000  1.0
  Al  Al4  1  0.238  0.000  0.000  1.0
  Al  Al5  1  0.000  0.238  0.000  1.0
  Co  Co6  1  0.667  0.333  0.000  1.0
  Co  Co7  1  0.333  0.667  0.000  1.0
  Co  Co8  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by PuCoAl crystallizes in the hexagonal P-62m space group. Pu(1) is bonded in a 5-coordinate geometry to one Co(2), four equivalent Co(1), and six equivalent Al(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Pu(1) and six equivalent Al(1) atoms. In the second Co site, Co(1) is bonded in a 9-coordinate geometry to six equivalent Pu(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 12-coordinate geometry to six equivalent Pu(1), two equivalent Co(1), two equivalent Co(2), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_PuAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.378
_cell_length_b   6.378
_cell_length_c   4.052
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   142.752
_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  0.428  0.428  0.500  1.0
  Pu  Pu1  1  0.572  0.000  0.500  1.0
  Pu  Pu2  1  0.000  0.572  0.500  1.0
  Al  Al3  1  0.762  0.762  0.000  1.0
  Al  Al4  1  0.238  0.000  0.000  1.0
  Al  Al5  1  0.000  0.238  0.000  1.0
  Co  Co6  1  0.667  0.333  0.000  1.0
  Co  Co7  1  0.333  0.667  0.000  1.0
  Co  Co8  1  0.000  0.000  0.500  1.0
[/CIF]
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