The compound described by Pu2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to two equivalent Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form a mixture of distorted corner and edge-sharing PuSe7 pentagonal bipyramids. In the second Pu site, Pu(2) is bonded in a 8-coordinate geometry to two equivalent Se(2), three equivalent Se(1), and three equivalent Se(3) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Pu(1) and three equivalent Pu(2) atoms to form a mixture of corner and edge-sharing SePu5 trigonal bipyramids. In the second Se site, Se(2) is bonded to two equivalent Pu(2) and three equivalent Pu(1) atoms to form a mixture of corner and edge-sharing SePu5 square pyramids. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to two equivalent Pu(1) and three equivalent Pu(2) atoms. is represented by the CIF file [CIF]
data_Pu2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.308
_cell_length_b   4.100
_cell_length_c   11.203
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.433
_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  0.493  0.250  0.186  1.0
  Pu  Pu1  1  0.993  0.250  0.314  1.0
  Pu  Pu2  1  0.507  0.750  0.814  1.0
  Pu  Pu3  1  0.007  0.750  0.686  1.0
  Pu  Pu4  1  0.689  0.750  0.492  1.0
  Pu  Pu5  1  0.189  0.750  0.008  1.0
  Pu  Pu6  1  0.311  0.250  0.508  1.0
  Pu  Pu7  1  0.811  0.250  0.992  1.0
  Se  Se8  1  0.551  0.250  0.629  1.0
  Se  Se9  1  0.051  0.250  0.871  1.0
  Se  Se10  1  0.449  0.750  0.371  1.0
  Se  Se11  1  0.949  0.750  0.129  1.0
  Se  Se12  1  0.621  0.750  0.053  1.0
  Se  Se13  1  0.121  0.750  0.447  1.0
  Se  Se14  1  0.379  0.250  0.947  1.0
  Se  Se15  1  0.879  0.250  0.553  1.0
  Se  Se16  1  0.729  0.250  0.302  1.0
  Se  Se17  1  0.229  0.250  0.198  1.0
  Se  Se18  1  0.271  0.750  0.698  1.0
  Se  Se19  1  0.771  0.750  0.802  1.0
[/CIF]
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The compound described by Pu2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to two equivalent Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form a mixture of distorted corner and edge-sharing PuSe7 pentagonal bipyramids. In the second Pu site, Pu(2) is bonded in a 8-coordinate geometry to two equivalent Se(2), three equivalent Se(1), and three equivalent Se(3) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Pu(1) and three equivalent Pu(2) atoms to form a mixture of corner and edge-sharing SePu5 trigonal bipyramids. In the second Se site, Se(2) is bonded to two equivalent Pu(2) and three equivalent Pu(1) atoms to form a mixture of corner and edge-sharing SePu5 square pyramids. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to two equivalent Pu(1) and three equivalent Pu(2) atoms. is represented by the CIF file [CIF]
data_Pu2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.308
_cell_length_b   4.100
_cell_length_c   11.203
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.433
_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  0.493  0.250  0.186  1.0
  Pu  Pu1  1  0.993  0.250  0.314  1.0
  Pu  Pu2  1  0.507  0.750  0.814  1.0
  Pu  Pu3  1  0.007  0.750  0.686  1.0
  Pu  Pu4  1  0.689  0.750  0.492  1.0
  Pu  Pu5  1  0.189  0.750  0.008  1.0
  Pu  Pu6  1  0.311  0.250  0.508  1.0
  Pu  Pu7  1  0.811  0.250  0.992  1.0
  Se  Se8  1  0.551  0.250  0.629  1.0
  Se  Se9  1  0.051  0.250  0.871  1.0
  Se  Se10  1  0.449  0.750  0.371  1.0
  Se  Se11  1  0.949  0.750  0.129  1.0
  Se  Se12  1  0.621  0.750  0.053  1.0
  Se  Se13  1  0.121  0.750  0.447  1.0
  Se  Se14  1  0.379  0.250  0.947  1.0
  Se  Se15  1  0.879  0.250  0.553  1.0
  Se  Se16  1  0.729  0.250  0.302  1.0
  Se  Se17  1  0.229  0.250  0.198  1.0
  Se  Se18  1  0.271  0.750  0.698  1.0
  Se  Se19  1  0.771  0.750  0.802  1.0
[/CIF]
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