The crystal structure described by IrCuTl is half-Heusler structured and crystallizes in the cubic F-43m space group. Ir(1) is bonded in a body-centered cubic geometry to four equivalent Cu(1) and four equivalent Tl(1) atoms. Cu(1) is bonded to four equivalent Ir(1) and six equivalent Tl(1) atoms to form distorted CuTl6Ir4 tetrahedra that share corners with four equivalent Tl(1)Cu6Ir4 tetrahedra, corners with six equivalent Cu(1)Tl6Ir4 tetrahedra, edges with six equivalent Tl(1)Cu6Ir4 tetrahedra, and faces with twelve equivalent Cu(1)Tl6Ir4 tetrahedra. Tl(1) is bonded to four equivalent Ir(1) and six equivalent Cu(1) atoms to form distorted TlCu6Ir4 tetrahedra that share corners with four equivalent Cu(1)Tl6Ir4 tetrahedra, corners with six equivalent Tl(1)Cu6Ir4 tetrahedra, edges with six equivalent Cu(1)Tl6Ir4 tetrahedra, and faces with twelve equivalent Tl(1)Cu6Ir4 tetrahedra. is represented by the CIF file [CIF]
data_TlCuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.380
_cell_length_b   4.380
_cell_length_c   4.380
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   59.407
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Ir  Ir2  1  0.750  0.750  0.750  1.0
[/CIF]
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The crystal structure described by IrCuTl is half-Heusler structured and crystallizes in the cubic F-43m space group. Ir(1) is bonded in a body-centered cubic geometry to four equivalent Cu(1) and four equivalent Tl(1) atoms. Cu(1) is bonded to four equivalent Ir(1) and six equivalent Tl(1) atoms to form distorted CuTl6Ir4 tetrahedra that share corners with four equivalent Tl(1)Cu6Ir4 tetrahedra, corners with six equivalent Cu(1)Tl6Ir4 tetrahedra, edges with six equivalent Tl(1)Cu6Ir4 tetrahedra, and faces with twelve equivalent Cu(1)Tl6Ir4 tetrahedra. Tl(1) is bonded to four equivalent Ir(1) and six equivalent Cu(1) atoms to form distorted TlCu6Ir4 tetrahedra that share corners with four equivalent Cu(1)Tl6Ir4 tetrahedra, corners with six equivalent Tl(1)Cu6Ir4 tetrahedra, edges with six equivalent Cu(1)Tl6Ir4 tetrahedra, and faces with twelve equivalent Tl(1)Cu6Ir4 tetrahedra. is represented by the CIF file [CIF]
data_TlCuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.380
_cell_length_b   4.380
_cell_length_c   4.380
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   59.407
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Ir  Ir2  1  0.750  0.750  0.750  1.0
[/CIF]
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