The crystal structure described by Pu5Ir3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded in a 4-coordinate geometry to four equivalent Ir(2) atoms. In the second Pu site, Pu(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1) and four equivalent Ir(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 10-coordinate geometry to eight equivalent Pu(2) and two equivalent Ir(1) atoms. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to two equivalent Pu(1) and eight equivalent Pu(2) atoms. is represented by the CIF card [CIF]
data_Pu5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.361
_cell_length_b   8.361
_cell_length_c   8.361
_cell_angle_alpha   96.399
_cell_angle_beta   96.399
_cell_angle_gamma   140.994
_symmetry_Int_Tables_number   1
_cell_volume   346.748
_cell_formula_units_Z   2
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  0.750  0.250  0.500  1.0
  Pu  Pu1  1  0.250  0.750  0.500  1.0
  Pu  Pu2  1  0.082  0.779  0.862  1.0
  Pu  Pu3  1  0.779  0.918  0.697  1.0
  Pu  Pu4  1  0.221  0.082  0.303  1.0
  Pu  Pu5  1  0.918  0.221  0.138  1.0
  Pu  Pu6  1  0.279  0.582  0.862  1.0
  Pu  Pu7  1  0.721  0.418  0.138  1.0
  Pu  Pu8  1  0.418  0.279  0.697  1.0
  Pu  Pu9  1  0.582  0.721  0.303  1.0
  Ir  Ir10  1  0.750  0.750  0.000  1.0
  Ir  Ir11  1  0.250  0.250  0.000  1.0
  Ir  Ir12  1  0.164  0.336  0.500  1.0
  Ir  Ir13  1  0.336  0.836  0.172  1.0
  Ir  Ir14  1  0.664  0.164  0.828  1.0
  Ir  Ir15  1  0.836  0.664  0.500  1.0
[/CIF]
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The crystal structure described by Pu5Ir3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded in a 4-coordinate geometry to four equivalent Ir(2) atoms. In the second Pu site, Pu(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1) and four equivalent Ir(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 10-coordinate geometry to eight equivalent Pu(2) and two equivalent Ir(1) atoms. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to two equivalent Pu(1) and eight equivalent Pu(2) atoms. is represented by the CIF card [CIF]
data_Pu5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.361
_cell_length_b   8.361
_cell_length_c   8.361
_cell_angle_alpha   96.399
_cell_angle_beta   96.399
_cell_angle_gamma   140.994
_symmetry_Int_Tables_number   1
_cell_volume   346.748
_cell_formula_units_Z   2
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  0.750  0.250  0.500  1.0
  Pu  Pu1  1  0.250  0.750  0.500  1.0
  Pu  Pu2  1  0.082  0.779  0.862  1.0
  Pu  Pu3  1  0.779  0.918  0.697  1.0
  Pu  Pu4  1  0.221  0.082  0.303  1.0
  Pu  Pu5  1  0.918  0.221  0.138  1.0
  Pu  Pu6  1  0.279  0.582  0.862  1.0
  Pu  Pu7  1  0.721  0.418  0.138  1.0
  Pu  Pu8  1  0.418  0.279  0.697  1.0
  Pu  Pu9  1  0.582  0.721  0.303  1.0
  Ir  Ir10  1  0.750  0.750  0.000  1.0
  Ir  Ir11  1  0.250  0.250  0.000  1.0
  Ir  Ir12  1  0.164  0.336  0.500  1.0
  Ir  Ir13  1  0.336  0.836  0.172  1.0
  Ir  Ir14  1  0.664  0.164  0.828  1.0
  Ir  Ir15  1  0.836  0.664  0.500  1.0
[/CIF]
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