The compound described by Ir3Ta is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded to twelve Ir(1,1) atoms to form TaIr12 cuboctahedra that share corners with six equivalent Ta(1)Ir12 cuboctahedra; corners with twelve equivalent Ir(1)Ta4Ir8 cuboctahedra; edges with eighteen Ir(1,1)Ta4Ir8 cuboctahedra; faces with eight equivalent Ta(1)Ir12 cuboctahedra; and faces with twelve Ir(1,1)Ta4Ir8 cuboctahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to four equivalent Ta(1) and eight Ir(1,1) atoms to form distorted IrTa4Ir8 cuboctahedra that share corners with four equivalent Ta(1)Ir12 cuboctahedra; corners with fourteen Ir(1,1)Ta4Ir8 cuboctahedra; edges with six equivalent Ta(1)Ir12 cuboctahedra; edges with twelve Ir(1,1)Ta4Ir8 cuboctahedra; faces with four equivalent Ta(1)Ir12 cuboctahedra; and faces with sixteen Ir(1,1)Ta4Ir8 cuboctahedra. In the second Ir site, Ir(1) is bonded to four equivalent Ta(1) and eight equivalent Ir(1) atoms to form distorted IrTa4Ir8 cuboctahedra that share corners with four equivalent Ta(1)Ir12 cuboctahedra; corners with fourteen Ir(1,1)Ta4Ir8 cuboctahedra; edges with six equivalent Ta(1)Ir12 cuboctahedra; edges with twelve equivalent Ir(1)Ta4Ir8 cuboctahedra; faces with four equivalent Ta(1)Ir12 cuboctahedra; and faces with sixteen Ir(1,1)Ta4Ir8 cuboctahedra. is represented by the CIF card [CIF]
data_TaIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.552
_cell_length_b   5.552
_cell_length_c   4.460
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   119.072
_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
  Ta  Ta0  1  0.333  0.667  0.750  1.0
  Ta  Ta1  1  0.667  0.333  0.250  1.0
  Ir  Ir2  1  0.164  0.328  0.250  1.0
  Ir  Ir3  1  0.672  0.836  0.250  1.0
  Ir  Ir4  1  0.164  0.836  0.250  1.0
  Ir  Ir5  1  0.836  0.672  0.750  1.0
  Ir  Ir6  1  0.328  0.164  0.750  1.0
  Ir  Ir7  1  0.836  0.164  0.750  1.0
[/CIF]
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The compound described by Ir3Ta is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded to twelve Ir(1,1) atoms to form TaIr12 cuboctahedra that share corners with six equivalent Ta(1)Ir12 cuboctahedra; corners with twelve equivalent Ir(1)Ta4Ir8 cuboctahedra; edges with eighteen Ir(1,1)Ta4Ir8 cuboctahedra; faces with eight equivalent Ta(1)Ir12 cuboctahedra; and faces with twelve Ir(1,1)Ta4Ir8 cuboctahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to four equivalent Ta(1) and eight Ir(1,1) atoms to form distorted IrTa4Ir8 cuboctahedra that share corners with four equivalent Ta(1)Ir12 cuboctahedra; corners with fourteen Ir(1,1)Ta4Ir8 cuboctahedra; edges with six equivalent Ta(1)Ir12 cuboctahedra; edges with twelve Ir(1,1)Ta4Ir8 cuboctahedra; faces with four equivalent Ta(1)Ir12 cuboctahedra; and faces with sixteen Ir(1,1)Ta4Ir8 cuboctahedra. In the second Ir site, Ir(1) is bonded to four equivalent Ta(1) and eight equivalent Ir(1) atoms to form distorted IrTa4Ir8 cuboctahedra that share corners with four equivalent Ta(1)Ir12 cuboctahedra; corners with fourteen Ir(1,1)Ta4Ir8 cuboctahedra; edges with six equivalent Ta(1)Ir12 cuboctahedra; edges with twelve equivalent Ir(1)Ta4Ir8 cuboctahedra; faces with four equivalent Ta(1)Ir12 cuboctahedra; and faces with sixteen Ir(1,1)Ta4Ir8 cuboctahedra. is represented by the CIF card [CIF]
data_TaIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.552
_cell_length_b   5.552
_cell_length_c   4.460
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   119.072
_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
  Ta  Ta0  1  0.333  0.667  0.750  1.0
  Ta  Ta1  1  0.667  0.333  0.250  1.0
  Ir  Ir2  1  0.164  0.328  0.250  1.0
  Ir  Ir3  1  0.672  0.836  0.250  1.0
  Ir  Ir4  1  0.164  0.836  0.250  1.0
  Ir  Ir5  1  0.836  0.672  0.750  1.0
  Ir  Ir6  1  0.328  0.164  0.750  1.0
  Ir  Ir7  1  0.836  0.164  0.750  1.0
[/CIF]
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