The compound described by UPt2Si2 crystallizes in the tetragonal P4/nmm space group. U(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 in a 5-coordinate geometry to four equivalent U(1), one Si(1), and four equivalent Si(2) atoms. In the second Pt site, Pt(2) is bonded to four equivalent U(1) and four equivalent Si(1) atoms to form distorted PtU4Si4 tetrahedra that share corners with twelve equivalent Si(2)U4Pt4 tetrahedra, edges with two equivalent Si(2)U4Pt4 tetrahedra, edges with four equivalent Pt(2)U4Si4 tetrahedra, and faces with four equivalent Pt(2)U4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to four equivalent U(1), one Pt(1), and four equivalent Pt(2) atoms. In the second Si site, Si(2) is bonded to four equivalent U(1) and four equivalent Pt(1) atoms to form distorted SiU4Pt4 tetrahedra that share corners with twelve equivalent Pt(2)U4Si4 tetrahedra, edges with two equivalent Pt(2)U4Si4 tetrahedra, edges with four equivalent Si(2)U4Pt4 tetrahedra, and faces with four equivalent Si(2)U4Pt4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_U(SiPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.202
_cell_length_b   4.202
_cell_length_c   9.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.643
_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
  U  U0  1  0.250  0.250  0.254  1.0
  U  U1  1  0.750  0.750  0.746  1.0
  Si  Si2  1  0.250  0.250  0.867  1.0
  Si  Si3  1  0.750  0.750  0.133  1.0
  Si  Si4  1  0.250  0.750  0.500  1.0
  Si  Si5  1  0.750  0.250  0.500  1.0
  Pt  Pt6  1  0.250  0.250  0.623  1.0
  Pt  Pt7  1  0.750  0.750  0.377  1.0
  Pt  Pt8  1  0.250  0.750  0.000  1.0
  Pt  Pt9  1  0.750  0.250  0.000  1.0
[/CIF]
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The compound described by UPt2Si2 crystallizes in the tetragonal P4/nmm space group. U(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 in a 5-coordinate geometry to four equivalent U(1), one Si(1), and four equivalent Si(2) atoms. In the second Pt site, Pt(2) is bonded to four equivalent U(1) and four equivalent Si(1) atoms to form distorted PtU4Si4 tetrahedra that share corners with twelve equivalent Si(2)U4Pt4 tetrahedra, edges with two equivalent Si(2)U4Pt4 tetrahedra, edges with four equivalent Pt(2)U4Si4 tetrahedra, and faces with four equivalent Pt(2)U4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to four equivalent U(1), one Pt(1), and four equivalent Pt(2) atoms. In the second Si site, Si(2) is bonded to four equivalent U(1) and four equivalent Pt(1) atoms to form distorted SiU4Pt4 tetrahedra that share corners with twelve equivalent Pt(2)U4Si4 tetrahedra, edges with two equivalent Pt(2)U4Si4 tetrahedra, edges with four equivalent Si(2)U4Pt4 tetrahedra, and faces with four equivalent Si(2)U4Pt4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_U(SiPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.202
_cell_length_b   4.202
_cell_length_c   9.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.643
_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
  U  U0  1  0.250  0.250  0.254  1.0
  U  U1  1  0.750  0.750  0.746  1.0
  Si  Si2  1  0.250  0.250  0.867  1.0
  Si  Si3  1  0.750  0.750  0.133  1.0
  Si  Si4  1  0.250  0.750  0.500  1.0
  Si  Si5  1  0.750  0.250  0.500  1.0
  Pt  Pt6  1  0.250  0.250  0.623  1.0
  Pt  Pt7  1  0.750  0.750  0.377  1.0
  Pt  Pt8  1  0.250  0.750  0.000  1.0
  Pt  Pt9  1  0.750  0.250  0.000  1.0
[/CIF]
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