The material structure described by Pu6Fe 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 distorted T-shaped geometry to one Pu(1) and two equivalent Pu(2) atoms. In the second Pu site, Pu(2) is bonded in a distorted rectangular see-saw-like geometry to one Pu(1), one Pu(2), and two equivalent Fe(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to eight equivalent Pu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pu6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.686
_cell_length_b   7.741
_cell_length_c   7.741
_cell_angle_alpha   82.248
_cell_angle_beta   68.453
_cell_angle_gamma   68.453
_symmetry_Int_Tables_number   1
_cell_volume   294.811
_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  0.902  0.697  0.500  1.0
  Pu  Pu1  1  0.098  0.303  0.500  1.0
  Pu  Pu2  1  0.598  0.500  0.303  1.0
  Pu  Pu3  1  0.402  0.500  0.697  1.0
  Pu  Pu4  1  0.090  0.689  0.130  1.0
  Pu  Pu5  1  0.910  0.311  0.870  1.0
  Pu  Pu6  1  0.410  0.870  0.311  1.0
  Pu  Pu7  1  0.590  0.130  0.689  1.0
  Pu  Pu8  1  0.221  0.870  0.689  1.0
  Pu  Pu9  1  0.779  0.130  0.311  1.0
  Pu  Pu10  1  0.721  0.689  0.870  1.0
  Pu  Pu11  1  0.279  0.311  0.130  1.0
  Fe  Fe12  1  0.250  0.000  0.000  1.0
  Fe  Fe13  1  0.750  0.000  0.000  1.0
[/CIF]
.
The material structure described by Pu6Fe 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 distorted T-shaped geometry to one Pu(1) and two equivalent Pu(2) atoms. In the second Pu site, Pu(2) is bonded in a distorted rectangular see-saw-like geometry to one Pu(1), one Pu(2), and two equivalent Fe(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to eight equivalent Pu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pu6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.686
_cell_length_b   7.741
_cell_length_c   7.741
_cell_angle_alpha   82.248
_cell_angle_beta   68.453
_cell_angle_gamma   68.453
_symmetry_Int_Tables_number   1
_cell_volume   294.811
_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  0.902  0.697  0.500  1.0
  Pu  Pu1  1  0.098  0.303  0.500  1.0
  Pu  Pu2  1  0.598  0.500  0.303  1.0
  Pu  Pu3  1  0.402  0.500  0.697  1.0
  Pu  Pu4  1  0.090  0.689  0.130  1.0
  Pu  Pu5  1  0.910  0.311  0.870  1.0
  Pu  Pu6  1  0.410  0.870  0.311  1.0
  Pu  Pu7  1  0.590  0.130  0.689  1.0
  Pu  Pu8  1  0.221  0.870  0.689  1.0
  Pu  Pu9  1  0.779  0.130  0.311  1.0
  Pu  Pu10  1  0.721  0.689  0.870  1.0
  Pu  Pu11  1  0.279  0.311  0.130  1.0
  Fe  Fe12  1  0.250  0.000  0.000  1.0
  Fe  Fe13  1  0.750  0.000  0.000  1.0
[/CIF]
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