The material structure described by Pu2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. Pu(1) is bonded to six equivalent S(1) atoms to form a mixture of edge, corner, and face-sharing PuS6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. S(1) is bonded to four equivalent Pu(1) atoms to form a mixture of distorted edge and corner-sharing SPu4 trigonal pyramids. is represented by the CIF card [CIF]
data_Pu2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.074
_cell_length_b   7.074
_cell_length_c   7.405
_cell_angle_alpha   118.534
_cell_angle_beta   61.466
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   267.666
_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  0.648  0.352  0.057  1.0
  Pu  Pu1  1  0.852  0.148  0.443  1.0
  Pu  Pu2  1  0.148  0.852  0.557  1.0
  Pu  Pu3  1  0.352  0.648  0.943  1.0
  S  S4  1  0.955  0.455  0.250  1.0
  S  S5  1  0.545  0.750  0.250  1.0
  S  S6  1  0.250  0.045  0.250  1.0
  S  S7  1  0.750  0.955  0.750  1.0
  S  S8  1  0.455  0.250  0.750  1.0
  S  S9  1  0.045  0.545  0.750  1.0
[/CIF]
.
The material structure described by Pu2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. Pu(1) is bonded to six equivalent S(1) atoms to form a mixture of edge, corner, and face-sharing PuS6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. S(1) is bonded to four equivalent Pu(1) atoms to form a mixture of distorted edge and corner-sharing SPu4 trigonal pyramids. is represented by the CIF card [CIF]
data_Pu2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.074
_cell_length_b   7.074
_cell_length_c   7.405
_cell_angle_alpha   118.534
_cell_angle_beta   61.466
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   267.666
_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  0.648  0.352  0.057  1.0
  Pu  Pu1  1  0.852  0.148  0.443  1.0
  Pu  Pu2  1  0.148  0.852  0.557  1.0
  Pu  Pu3  1  0.352  0.648  0.943  1.0
  S  S4  1  0.955  0.455  0.250  1.0
  S  S5  1  0.545  0.750  0.250  1.0
  S  S6  1  0.250  0.045  0.250  1.0
  S  S7  1  0.750  0.955  0.750  1.0
  S  S8  1  0.455  0.250  0.750  1.0
  S  S9  1  0.045  0.545  0.750  1.0
[/CIF]
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