The crystal structure described by Pu3I is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pu(1) is bonded in a distorted see-saw-like geometry to four equivalent I(1) atoms. I(1) is bonded to twelve equivalent Pu(1) atoms to form a mixture of face and corner-sharing IPu12 cuboctahedra. is represented by the CIF card [CIF]
data_Pu3I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.702
_cell_length_b   6.702
_cell_length_c   5.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   223.448
_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  0.164  0.327  0.250  1.0
  Pu  Pu1  1  0.673  0.836  0.250  1.0
  Pu  Pu2  1  0.164  0.836  0.250  1.0
  Pu  Pu3  1  0.836  0.673  0.750  1.0
  Pu  Pu4  1  0.327  0.164  0.750  1.0
  Pu  Pu5  1  0.836  0.164  0.750  1.0
  I  I6  1  0.333  0.667  0.750  1.0
  I  I7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The crystal structure described by Pu3I is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pu(1) is bonded in a distorted see-saw-like geometry to four equivalent I(1) atoms. I(1) is bonded to twelve equivalent Pu(1) atoms to form a mixture of face and corner-sharing IPu12 cuboctahedra. is represented by the CIF card [CIF]
data_Pu3I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.702
_cell_length_b   6.702
_cell_length_c   5.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   223.448
_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  0.164  0.327  0.250  1.0
  Pu  Pu1  1  0.673  0.836  0.250  1.0
  Pu  Pu2  1  0.164  0.836  0.250  1.0
  Pu  Pu3  1  0.836  0.673  0.750  1.0
  Pu  Pu4  1  0.327  0.164  0.750  1.0
  Pu  Pu5  1  0.836  0.164  0.750  1.0
  I  I6  1  0.333  0.667  0.750  1.0
  I  I7  1  0.667  0.333  0.250  1.0
[/CIF]
.