The material structure described by PuS2 crystallizes in the tetragonal P4/nmm space group. Pu(1) is bonded in a 9-coordinate geometry to four equivalent S(2) and five equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Pu(1) atoms to form a mixture of distorted corner and edge-sharing SPu5 trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Pu(1) atoms. is represented by the CIF card [CIF]
data_PuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.973
_cell_length_b   3.973
_cell_length_c   7.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.669
_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  0.000  0.000  0.998  1.0
  Pu  Pu1  1  0.500  0.500  0.466  1.0
  S  S2  1  0.500  0.500  0.092  1.0
  S  S3  1  0.000  0.500  0.732  1.0
  S  S4  1  0.500  0.000  0.732  1.0
  S  S5  1  0.000  0.000  0.372  1.0
[/CIF]
.
The material structure described by PuS2 crystallizes in the tetragonal P4/nmm space group. Pu(1) is bonded in a 9-coordinate geometry to four equivalent S(2) and five equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Pu(1) atoms to form a mixture of distorted corner and edge-sharing SPu5 trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Pu(1) atoms. is represented by the CIF card [CIF]
data_PuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.973
_cell_length_b   3.973
_cell_length_c   7.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.669
_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  0.000  0.000  0.998  1.0
  Pu  Pu1  1  0.500  0.500  0.466  1.0
  S  S2  1  0.500  0.500  0.092  1.0
  S  S3  1  0.000  0.500  0.732  1.0
  S  S4  1  0.500  0.000  0.732  1.0
  S  S5  1  0.000  0.000  0.372  1.0
[/CIF]
.