The compound described by PuPt2Si2 crystallizes in the tetragonal P4/nmm space group. Pu(1) is bonded in a 16-coordinate geometry to four equivalent Pt(1), four equivalent Pt(2), four equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Pu(1) and four equivalent Si(1) atoms to form a mixture of distorted edge and face-sharing PtPu4Si4 tetrahedra. In the second Pt site, Pt(2) is bonded in a 5-coordinate geometry to four equivalent Pu(1), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to four equivalent Pu(1), one Pt(2), and four equivalent Pt(1) atoms. In the second Si site, Si(2) is bonded in a 4-coordinate geometry to four equivalent Pu(1) and four equivalent Pt(2) atoms. is represented by the CIF card [CIF]
data_Pu(SiPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.212
_cell_length_b   4.212
_cell_length_c   9.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.603
_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  0.500  0.253  1.0
  Pu  Pu1  1  0.500  0.000  0.747  1.0
  Si  Si2  1  0.500  0.000  0.135  1.0
  Si  Si3  1  0.000  0.000  0.500  1.0
  Si  Si4  1  0.500  0.500  0.500  1.0
  Si  Si5  1  0.000  0.500  0.865  1.0
  Pt  Pt6  1  0.000  0.000  0.000  1.0
  Pt  Pt7  1  0.500  0.500  0.000  1.0
  Pt  Pt8  1  0.500  0.000  0.379  1.0
  Pt  Pt9  1  0.000  0.500  0.621  1.0
[/CIF]
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The compound described by PuPt2Si2 crystallizes in the tetragonal P4/nmm space group. Pu(1) is bonded in a 16-coordinate geometry to four equivalent Pt(1), four equivalent Pt(2), four equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Pu(1) and four equivalent Si(1) atoms to form a mixture of distorted edge and face-sharing PtPu4Si4 tetrahedra. In the second Pt site, Pt(2) is bonded in a 5-coordinate geometry to four equivalent Pu(1), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to four equivalent Pu(1), one Pt(2), and four equivalent Pt(1) atoms. In the second Si site, Si(2) is bonded in a 4-coordinate geometry to four equivalent Pu(1) and four equivalent Pt(2) atoms. is represented by the CIF card [CIF]
data_Pu(SiPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.212
_cell_length_b   4.212
_cell_length_c   9.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.603
_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  0.500  0.253  1.0
  Pu  Pu1  1  0.500  0.000  0.747  1.0
  Si  Si2  1  0.500  0.000  0.135  1.0
  Si  Si3  1  0.000  0.000  0.500  1.0
  Si  Si4  1  0.500  0.500  0.500  1.0
  Si  Si5  1  0.000  0.500  0.865  1.0
  Pt  Pt6  1  0.000  0.000  0.000  1.0
  Pt  Pt7  1  0.500  0.500  0.000  1.0
  Pt  Pt8  1  0.500  0.000  0.379  1.0
  Pt  Pt9  1  0.000  0.500  0.621  1.0
[/CIF]
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