The crystal structure described by ThIrAl crystallizes in the hexagonal P-62m space group. Th(1) is bonded in a 5-coordinate geometry to one Ir(2) and four equivalent Ir(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a 9-coordinate geometry to three equivalent Th(1) and six equivalent Al(1) atoms. In the second Ir site, Ir(1) is bonded in a 9-coordinate geometry to six equivalent Th(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Ir(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.187
_cell_length_b   7.187
_cell_length_c   4.158
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   185.982
_cell_formula_units_Z   3
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  0.420  0.000  0.500  1.0
  Th  Th1  1  0.000  0.420  0.500  1.0
  Th  Th2  1  0.580  0.580  0.500  1.0
  Al  Al3  1  0.773  0.000  0.000  1.0
  Al  Al4  1  0.000  0.773  0.000  1.0
  Al  Al5  1  0.227  0.227  0.000  1.0
  Ir  Ir6  1  0.333  0.667  0.000  1.0
  Ir  Ir7  1  0.667  0.333  0.000  1.0
  Ir  Ir8  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by ThIrAl crystallizes in the hexagonal P-62m space group. Th(1) is bonded in a 5-coordinate geometry to one Ir(2) and four equivalent Ir(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a 9-coordinate geometry to three equivalent Th(1) and six equivalent Al(1) atoms. In the second Ir site, Ir(1) is bonded in a 9-coordinate geometry to six equivalent Th(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Ir(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.187
_cell_length_b   7.187
_cell_length_c   4.158
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   185.982
_cell_formula_units_Z   3
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  0.420  0.000  0.500  1.0
  Th  Th1  1  0.000  0.420  0.500  1.0
  Th  Th2  1  0.580  0.580  0.500  1.0
  Al  Al3  1  0.773  0.000  0.000  1.0
  Al  Al4  1  0.000  0.773  0.000  1.0
  Al  Al5  1  0.227  0.227  0.000  1.0
  Ir  Ir6  1  0.333  0.667  0.000  1.0
  Ir  Ir7  1  0.667  0.333  0.000  1.0
  Ir  Ir8  1  0.000  0.000  0.500  1.0
[/CIF]
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