The structure described by Pu4Sb3 crystallizes in the tetragonal I-42d space group. Pu(1) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form a mixture of distorted edge, face, and corner-sharing PuSb6 octahedra. The corner-sharing octahedral tilt angles range from 16-50°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to eight equivalent Pu(1) atoms to form a mixture of distorted edge, face, and corner-sharing SbPu8 hexagonal bipyramids. In the second Sb site, Sb(2) is bonded to eight equivalent Pu(1) atoms to form a mixture of distorted edge, face, and corner-sharing SbPu8 hexagonal bipyramids. is represented by the CIF card [CIF]
data_Pu4Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.080
_cell_length_b   8.079
_cell_length_c   8.080
_cell_angle_alpha   109.413
_cell_angle_beta   109.498
_cell_angle_gamma   109.498
_symmetry_Int_Tables_number   1
_cell_volume   406.092
_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  0.847  0.846  0.845  1.0
  Pu  Pu1  1  0.653  0.998  0.499  1.0
  Pu  Pu2  1  0.499  0.654  0.001  1.0
  Pu  Pu3  1  0.347  0.345  0.346  1.0
  Pu  Pu4  1  0.002  0.502  0.655  1.0
  Pu  Pu5  1  0.153  0.999  0.498  1.0
  Pu  Pu6  1  0.998  0.501  0.154  1.0
  Pu  Pu7  1  0.501  0.155  0.002  1.0
  Sb  Sb8  1  0.625  0.375  0.750  1.0
  Sb  Sb9  1  0.875  0.125  0.250  1.0
  Sb  Sb10  1  0.375  0.750  0.625  1.0
  Sb  Sb11  1  0.125  0.250  0.875  1.0
  Sb  Sb12  1  0.750  0.625  0.375  1.0
  Sb  Sb13  1  0.250  0.875  0.125  1.0
[/CIF]
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The structure described by Pu4Sb3 crystallizes in the tetragonal I-42d space group. Pu(1) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form a mixture of distorted edge, face, and corner-sharing PuSb6 octahedra. The corner-sharing octahedral tilt angles range from 16-50°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to eight equivalent Pu(1) atoms to form a mixture of distorted edge, face, and corner-sharing SbPu8 hexagonal bipyramids. In the second Sb site, Sb(2) is bonded to eight equivalent Pu(1) atoms to form a mixture of distorted edge, face, and corner-sharing SbPu8 hexagonal bipyramids. is represented by the CIF card [CIF]
data_Pu4Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.080
_cell_length_b   8.079
_cell_length_c   8.080
_cell_angle_alpha   109.413
_cell_angle_beta   109.498
_cell_angle_gamma   109.498
_symmetry_Int_Tables_number   1
_cell_volume   406.092
_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  0.847  0.846  0.845  1.0
  Pu  Pu1  1  0.653  0.998  0.499  1.0
  Pu  Pu2  1  0.499  0.654  0.001  1.0
  Pu  Pu3  1  0.347  0.345  0.346  1.0
  Pu  Pu4  1  0.002  0.502  0.655  1.0
  Pu  Pu5  1  0.153  0.999  0.498  1.0
  Pu  Pu6  1  0.998  0.501  0.154  1.0
  Pu  Pu7  1  0.501  0.155  0.002  1.0
  Sb  Sb8  1  0.625  0.375  0.750  1.0
  Sb  Sb9  1  0.875  0.125  0.250  1.0
  Sb  Sb10  1  0.375  0.750  0.625  1.0
  Sb  Sb11  1  0.125  0.250  0.875  1.0
  Sb  Sb12  1  0.750  0.625  0.375  1.0
  Sb  Sb13  1  0.250  0.875  0.125  1.0
[/CIF]
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