The compound described by Th(IrSi)2 crystallizes in the tetragonal P4/nmm space group. Th(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1), four equivalent Ir(2), four equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to four equivalent Th(1) and four equivalent Si(2) atoms to form distorted IrTh4Si4 tetrahedra that share corners with twelve equivalent Si(1)Th4Ir4 tetrahedra, edges with two equivalent Si(1)Th4Ir4 tetrahedra, edges with four equivalent Ir(1)Th4Si4 tetrahedra, and faces with four equivalent Ir(1)Th4Si4 tetrahedra. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to four equivalent Th(1), one Si(2), and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to four equivalent Th(1) and four equivalent Ir(2) atoms to form distorted SiTh4Ir4 tetrahedra that share corners with twelve equivalent Ir(1)Th4Si4 tetrahedra, edges with two equivalent Ir(1)Th4Si4 tetrahedra, edges with four equivalent Si(1)Th4Ir4 tetrahedra, and faces with four equivalent Si(1)Th4Ir4 tetrahedra. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to four equivalent Th(1), one Ir(2), and four equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Th(SiIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.187
_cell_length_b   4.187
_cell_length_c   9.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.799
_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
  Th  Th0  1  0.000  0.500  0.258  1.0
  Th  Th1  1  0.500  0.000  0.742  1.0
  Si  Si2  1  0.000  0.000  0.500  1.0
  Si  Si3  1  0.500  0.500  0.500  1.0
  Si  Si4  1  0.000  0.500  0.870  1.0
  Si  Si5  1  0.500  0.000  0.130  1.0
  Ir  Ir6  1  0.000  0.000  0.000  1.0
  Ir  Ir7  1  0.500  0.500  0.000  1.0
  Ir  Ir8  1  0.000  0.500  0.627  1.0
  Ir  Ir9  1  0.500  0.000  0.373  1.0
[/CIF]
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The compound described by Th(IrSi)2 crystallizes in the tetragonal P4/nmm space group. Th(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1), four equivalent Ir(2), four equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to four equivalent Th(1) and four equivalent Si(2) atoms to form distorted IrTh4Si4 tetrahedra that share corners with twelve equivalent Si(1)Th4Ir4 tetrahedra, edges with two equivalent Si(1)Th4Ir4 tetrahedra, edges with four equivalent Ir(1)Th4Si4 tetrahedra, and faces with four equivalent Ir(1)Th4Si4 tetrahedra. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to four equivalent Th(1), one Si(2), and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to four equivalent Th(1) and four equivalent Ir(2) atoms to form distorted SiTh4Ir4 tetrahedra that share corners with twelve equivalent Ir(1)Th4Si4 tetrahedra, edges with two equivalent Ir(1)Th4Si4 tetrahedra, edges with four equivalent Si(1)Th4Ir4 tetrahedra, and faces with four equivalent Si(1)Th4Ir4 tetrahedra. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to four equivalent Th(1), one Ir(2), and four equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Th(SiIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.187
_cell_length_b   4.187
_cell_length_c   9.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.799
_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
  Th  Th0  1  0.000  0.500  0.258  1.0
  Th  Th1  1  0.500  0.000  0.742  1.0
  Si  Si2  1  0.000  0.000  0.500  1.0
  Si  Si3  1  0.500  0.500  0.500  1.0
  Si  Si4  1  0.000  0.500  0.870  1.0
  Si  Si5  1  0.500  0.000  0.130  1.0
  Ir  Ir6  1  0.000  0.000  0.000  1.0
  Ir  Ir7  1  0.500  0.500  0.000  1.0
  Ir  Ir8  1  0.000  0.500  0.627  1.0
  Ir  Ir9  1  0.500  0.000  0.373  1.0
[/CIF]
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