The compound described by Pu3S2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to one S(1) and four equivalent S(2) atoms to form a mixture of face, corner, and edge-sharing PuS5 square pyramids. In the second Pu site, Pu(2) is bonded to two equivalent S(2) and three equivalent S(1) atoms to form a mixture of distorted face, corner, and edge-sharing PuS5 trigonal bipyramids. In the third Pu site, Pu(3) is bonded in a 4-coordinate geometry to one S(2) and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Pu(1), three equivalent Pu(2), and three equivalent Pu(3) atoms to form distorted edge-sharing SPu7 pentagonal bipyramids. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Pu(3), two equivalent Pu(2), and four equivalent Pu(1) atoms. is represented by the CIF card [CIF]
data_Pu3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.958
_cell_length_b   7.723
_cell_length_c   15.231
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   465.584
_cell_formula_units_Z   4
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  0.250  0.670  0.725  1.0
  Pu  Pu1  1  0.750  0.330  0.275  1.0
  Pu  Pu2  1  0.750  0.830  0.225  1.0
  Pu  Pu3  1  0.250  0.170  0.775  1.0
  Pu  Pu4  1  0.250  0.877  0.931  1.0
  Pu  Pu5  1  0.750  0.123  0.069  1.0
  Pu  Pu6  1  0.750  0.623  0.431  1.0
  Pu  Pu7  1  0.250  0.377  0.569  1.0
  Pu  Pu8  1  0.250  0.504  0.102  1.0
  Pu  Pu9  1  0.750  0.496  0.898  1.0
  Pu  Pu10  1  0.750  0.996  0.602  1.0
  Pu  Pu11  1  0.250  0.004  0.398  1.0
  S  S12  1  0.250  0.762  0.543  1.0
  S  S13  1  0.750  0.238  0.457  1.0
  S  S14  1  0.750  0.738  0.043  1.0
  S  S15  1  0.250  0.262  0.957  1.0
  S  S16  1  0.250  0.601  0.289  1.0
  S  S17  1  0.750  0.399  0.711  1.0
  S  S18  1  0.750  0.899  0.789  1.0
  S  S19  1  0.250  0.101  0.211  1.0
[/CIF]
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The compound described by Pu3S2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to one S(1) and four equivalent S(2) atoms to form a mixture of face, corner, and edge-sharing PuS5 square pyramids. In the second Pu site, Pu(2) is bonded to two equivalent S(2) and three equivalent S(1) atoms to form a mixture of distorted face, corner, and edge-sharing PuS5 trigonal bipyramids. In the third Pu site, Pu(3) is bonded in a 4-coordinate geometry to one S(2) and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Pu(1), three equivalent Pu(2), and three equivalent Pu(3) atoms to form distorted edge-sharing SPu7 pentagonal bipyramids. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Pu(3), two equivalent Pu(2), and four equivalent Pu(1) atoms. is represented by the CIF card [CIF]
data_Pu3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.958
_cell_length_b   7.723
_cell_length_c   15.231
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   465.584
_cell_formula_units_Z   4
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  0.250  0.670  0.725  1.0
  Pu  Pu1  1  0.750  0.330  0.275  1.0
  Pu  Pu2  1  0.750  0.830  0.225  1.0
  Pu  Pu3  1  0.250  0.170  0.775  1.0
  Pu  Pu4  1  0.250  0.877  0.931  1.0
  Pu  Pu5  1  0.750  0.123  0.069  1.0
  Pu  Pu6  1  0.750  0.623  0.431  1.0
  Pu  Pu7  1  0.250  0.377  0.569  1.0
  Pu  Pu8  1  0.250  0.504  0.102  1.0
  Pu  Pu9  1  0.750  0.496  0.898  1.0
  Pu  Pu10  1  0.750  0.996  0.602  1.0
  Pu  Pu11  1  0.250  0.004  0.398  1.0
  S  S12  1  0.250  0.762  0.543  1.0
  S  S13  1  0.750  0.238  0.457  1.0
  S  S14  1  0.750  0.738  0.043  1.0
  S  S15  1  0.250  0.262  0.957  1.0
  S  S16  1  0.250  0.601  0.289  1.0
  S  S17  1  0.750  0.399  0.711  1.0
  S  S18  1  0.750  0.899  0.789  1.0
  S  S19  1  0.250  0.101  0.211  1.0
[/CIF]
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