The crystal structure described by ThIr5 crystallizes in the hexagonal P6/mmm space group. Th(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ir(1) and twelve equivalent Ir(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 12-coordinate geometry to three equivalent Th(1), three equivalent Ir(1), and six equivalent Ir(2) atoms. In the second Ir site, Ir(2) is bonded to four equivalent Th(1), four equivalent Ir(1), and four equivalent Ir(2) atoms to form a mixture of corner, edge, and face-sharing IrTh4Ir8 cuboctahedra. is represented by the CIF card [CIF]
data_ThIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.305
_cell_length_b   5.305
_cell_length_c   4.357
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   106.183
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Ir  Ir1  1  0.333  0.667  0.000  1.0
  Ir  Ir2  1  0.667  0.333  0.000  1.0
  Ir  Ir3  1  0.500  0.000  0.500  1.0
  Ir  Ir4  1  0.500  0.500  0.500  1.0
  Ir  Ir5  1  0.000  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by ThIr5 crystallizes in the hexagonal P6/mmm space group. Th(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ir(1) and twelve equivalent Ir(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 12-coordinate geometry to three equivalent Th(1), three equivalent Ir(1), and six equivalent Ir(2) atoms. In the second Ir site, Ir(2) is bonded to four equivalent Th(1), four equivalent Ir(1), and four equivalent Ir(2) atoms to form a mixture of corner, edge, and face-sharing IrTh4Ir8 cuboctahedra. is represented by the CIF card [CIF]
data_ThIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.305
_cell_length_b   5.305
_cell_length_c   4.357
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   106.183
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Ir  Ir1  1  0.333  0.667  0.000  1.0
  Ir  Ir2  1  0.667  0.333  0.000  1.0
  Ir  Ir3  1  0.500  0.000  0.500  1.0
  Ir  Ir4  1  0.500  0.500  0.500  1.0
  Ir  Ir5  1  0.000  0.500  0.500  1.0
[/CIF]
.