The material described by Pu4Bi3 crystallizes in the tetragonal I-42d space group. Pu(1) is bonded to two equivalent Bi(1) and four equivalent Bi(2) atoms to form a mixture of distorted corner, face, and edge-sharing PuBi6 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to eight equivalent Pu(1) atoms to form a mixture of distorted corner, face, and edge-sharing BiPu8 hexagonal bipyramids. In the second Bi site, Bi(2) is bonded to eight equivalent Pu(1) atoms to form a mixture of distorted corner, face, and edge-sharing BiPu8 hexagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pu4Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.271
_cell_length_b   8.271
_cell_length_c   8.271
_cell_angle_alpha   109.426
_cell_angle_beta   109.426
_cell_angle_gamma   109.564
_symmetry_Int_Tables_number   1
_cell_volume   435.519
_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  0.345  0.343  0.347  1.0
  Pu  Pu1  1  0.155  0.502  0.998  1.0
  Pu  Pu2  1  0.003  0.157  0.502  1.0
  Pu  Pu3  1  0.844  0.845  0.847  1.0
  Pu  Pu4  1  0.497  0.998  0.153  1.0
  Pu  Pu5  1  0.656  0.503  0.002  1.0
  Pu  Pu6  1  0.498  0.997  0.653  1.0
  Pu  Pu7  1  0.002  0.655  0.498  1.0
  Bi  Bi8  1  0.125  0.875  0.250  1.0
  Bi  Bi9  1  0.375  0.625  0.750  1.0
  Bi  Bi10  1  0.875  0.250  0.125  1.0
  Bi  Bi11  1  0.625  0.750  0.375  1.0
  Bi  Bi12  1  0.250  0.125  0.875  1.0
  Bi  Bi13  1  0.750  0.375  0.625  1.0
[/CIF]
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The material described by Pu4Bi3 crystallizes in the tetragonal I-42d space group. Pu(1) is bonded to two equivalent Bi(1) and four equivalent Bi(2) atoms to form a mixture of distorted corner, face, and edge-sharing PuBi6 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to eight equivalent Pu(1) atoms to form a mixture of distorted corner, face, and edge-sharing BiPu8 hexagonal bipyramids. In the second Bi site, Bi(2) is bonded to eight equivalent Pu(1) atoms to form a mixture of distorted corner, face, and edge-sharing BiPu8 hexagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pu4Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.271
_cell_length_b   8.271
_cell_length_c   8.271
_cell_angle_alpha   109.426
_cell_angle_beta   109.426
_cell_angle_gamma   109.564
_symmetry_Int_Tables_number   1
_cell_volume   435.519
_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  0.345  0.343  0.347  1.0
  Pu  Pu1  1  0.155  0.502  0.998  1.0
  Pu  Pu2  1  0.003  0.157  0.502  1.0
  Pu  Pu3  1  0.844  0.845  0.847  1.0
  Pu  Pu4  1  0.497  0.998  0.153  1.0
  Pu  Pu5  1  0.656  0.503  0.002  1.0
  Pu  Pu6  1  0.498  0.997  0.653  1.0
  Pu  Pu7  1  0.002  0.655  0.498  1.0
  Bi  Bi8  1  0.125  0.875  0.250  1.0
  Bi  Bi9  1  0.375  0.625  0.750  1.0
  Bi  Bi10  1  0.875  0.250  0.125  1.0
  Bi  Bi11  1  0.625  0.750  0.375  1.0
  Bi  Bi12  1  0.250  0.125  0.875  1.0
  Bi  Bi13  1  0.750  0.375  0.625  1.0
[/CIF]
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