The material described by Pu is alpha Pu structured and crystallizes in the monoclinic P2_1/m space group. There are eight inequivalent Pu sites. In the first Pu site, Pu(1) is bonded in a 4-coordinate geometry to one Pu(3) and three equivalent Pu(6) atoms. In the second Pu site, Pu(2) is bonded in a 5-coordinate geometry to one Pu(4), one Pu(7), one Pu(8), and two equivalent Pu(5) atoms. In the third Pu site, Pu(3) is bonded in a 4-coordinate geometry to one Pu(1), one Pu(6), and two equivalent Pu(8) atoms. In the fourth Pu site, Pu(4) is bonded to one Pu(2), one Pu(5), and two equivalent Pu(7) atoms to form corner-sharing PuPu4 trigonal pyramids. In the fifth Pu site, Pu(5) is bonded in a distorted trigonal planar geometry to one Pu(4) and two equivalent Pu(2) atoms. In the sixth Pu site, Pu(6) is bonded in a 4-coordinate geometry to one Pu(3) and three equivalent Pu(1) atoms. In the seventh Pu site, Pu(7) is bonded in a 4-coordinate geometry to one Pu(2), one Pu(8), and two equivalent Pu(4) atoms. In the eighth Pu site, Pu(8) is bonded to one Pu(2), one Pu(7), and two equivalent Pu(3) atoms to form distorted corner-sharing PuPu4 trigonal pyramids. is represented by the CIF file [CIF]
data_Pu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.394
_cell_length_b   5.824
_cell_length_c   10.690
_cell_angle_alpha   102.529
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.015
_cell_formula_units_Z   16
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  0.750  0.353  0.538  1.0
  Pu  Pu1  1  0.750  0.671  0.842  1.0
  Pu  Pu2  1  0.250  0.023  0.619  1.0
  Pu  Pu3  1  0.250  0.647  0.462  1.0
  Pu  Pu4  1  0.250  0.293  0.929  1.0
  Pu  Pu5  1  0.250  0.866  0.889  1.0
  Pu  Pu6  1  0.750  0.552  0.362  1.0
  Pu  Pu7  1  0.250  0.748  0.169  1.0
  Pu  Pu8  1  0.750  0.707  0.071  1.0
  Pu  Pu9  1  0.750  0.895  0.671  1.0
  Pu  Pu10  1  0.750  0.977  0.381  1.0
  Pu  Pu11  1  0.250  0.448  0.638  1.0
  Pu  Pu12  1  0.750  0.252  0.831  1.0
  Pu  Pu13  1  0.250  0.329  0.158  1.0
  Pu  Pu14  1  0.750  0.134  0.111  1.0
  Pu  Pu15  1  0.250  0.105  0.329  1.0
[/CIF]
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The material described by Pu is alpha Pu structured and crystallizes in the monoclinic P2_1/m space group. There are eight inequivalent Pu sites. In the first Pu site, Pu(1) is bonded in a 4-coordinate geometry to one Pu(3) and three equivalent Pu(6) atoms. In the second Pu site, Pu(2) is bonded in a 5-coordinate geometry to one Pu(4), one Pu(7), one Pu(8), and two equivalent Pu(5) atoms. In the third Pu site, Pu(3) is bonded in a 4-coordinate geometry to one Pu(1), one Pu(6), and two equivalent Pu(8) atoms. In the fourth Pu site, Pu(4) is bonded to one Pu(2), one Pu(5), and two equivalent Pu(7) atoms to form corner-sharing PuPu4 trigonal pyramids. In the fifth Pu site, Pu(5) is bonded in a distorted trigonal planar geometry to one Pu(4) and two equivalent Pu(2) atoms. In the sixth Pu site, Pu(6) is bonded in a 4-coordinate geometry to one Pu(3) and three equivalent Pu(1) atoms. In the seventh Pu site, Pu(7) is bonded in a 4-coordinate geometry to one Pu(2), one Pu(8), and two equivalent Pu(4) atoms. In the eighth Pu site, Pu(8) is bonded to one Pu(2), one Pu(7), and two equivalent Pu(3) atoms to form distorted corner-sharing PuPu4 trigonal pyramids. is represented by the CIF file [CIF]
data_Pu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.394
_cell_length_b   5.824
_cell_length_c   10.690
_cell_angle_alpha   102.529
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.015
_cell_formula_units_Z   16
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  0.750  0.353  0.538  1.0
  Pu  Pu1  1  0.750  0.671  0.842  1.0
  Pu  Pu2  1  0.250  0.023  0.619  1.0
  Pu  Pu3  1  0.250  0.647  0.462  1.0
  Pu  Pu4  1  0.250  0.293  0.929  1.0
  Pu  Pu5  1  0.250  0.866  0.889  1.0
  Pu  Pu6  1  0.750  0.552  0.362  1.0
  Pu  Pu7  1  0.250  0.748  0.169  1.0
  Pu  Pu8  1  0.750  0.707  0.071  1.0
  Pu  Pu9  1  0.750  0.895  0.671  1.0
  Pu  Pu10  1  0.750  0.977  0.381  1.0
  Pu  Pu11  1  0.250  0.448  0.638  1.0
  Pu  Pu12  1  0.750  0.252  0.831  1.0
  Pu  Pu13  1  0.250  0.329  0.158  1.0
  Pu  Pu14  1  0.750  0.134  0.111  1.0
  Pu  Pu15  1  0.250  0.105  0.329  1.0
[/CIF]
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