The material described by PuSb3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to two equivalent Sb(2), two equivalent Sb(4), four equivalent Sb(1), and four equivalent Sb(3) atoms to form a mixture of face and corner-sharing PuSb12 cuboctahedra. In the second Pu site, Pu(2) is bonded to two equivalent Sb(2), two equivalent Sb(4), four equivalent Sb(1), and four equivalent Sb(3) atoms to form a mixture of face and corner-sharing PuSb12 cuboctahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), and four equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), and four equivalent Sb(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PuSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.458
_cell_length_b   6.464
_cell_length_c   5.993
_cell_angle_alpha   89.989
_cell_angle_beta   90.002
_cell_angle_gamma   120.022
_symmetry_Int_Tables_number   1
_cell_volume   216.631
_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  0.334  0.667  0.750  1.0
  Pu  Pu1  1  0.669  0.334  0.250  1.0
  Sb  Sb2  1  0.176  0.351  0.250  1.0
  Sb  Sb3  1  0.647  0.824  0.250  1.0
  Sb  Sb4  1  0.176  0.824  0.250  1.0
  Sb  Sb5  1  0.824  0.648  0.750  1.0
  Sb  Sb6  1  0.351  0.176  0.750  1.0
  Sb  Sb7  1  0.824  0.176  0.750  1.0
[/CIF]
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The material described by PuSb3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to two equivalent Sb(2), two equivalent Sb(4), four equivalent Sb(1), and four equivalent Sb(3) atoms to form a mixture of face and corner-sharing PuSb12 cuboctahedra. In the second Pu site, Pu(2) is bonded to two equivalent Sb(2), two equivalent Sb(4), four equivalent Sb(1), and four equivalent Sb(3) atoms to form a mixture of face and corner-sharing PuSb12 cuboctahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), and four equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), and four equivalent Sb(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PuSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.458
_cell_length_b   6.464
_cell_length_c   5.993
_cell_angle_alpha   89.989
_cell_angle_beta   90.002
_cell_angle_gamma   120.022
_symmetry_Int_Tables_number   1
_cell_volume   216.631
_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  0.334  0.667  0.750  1.0
  Pu  Pu1  1  0.669  0.334  0.250  1.0
  Sb  Sb2  1  0.176  0.351  0.250  1.0
  Sb  Sb3  1  0.647  0.824  0.250  1.0
  Sb  Sb4  1  0.176  0.824  0.250  1.0
  Sb  Sb5  1  0.824  0.648  0.750  1.0
  Sb  Sb6  1  0.351  0.176  0.750  1.0
  Sb  Sb7  1  0.824  0.176  0.750  1.0
[/CIF]
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