The crystal structure described by Ir3Y crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to three equivalent Ir(3) and nine equivalent Ir(1) atoms. In the second Y site, Y(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ir(2) and twelve equivalent Ir(1) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent Y(2), three equivalent Y(1), one Ir(3), two equivalent Ir(2), and four equivalent Ir(1) atoms to form distorted IrY5Ir7 cuboctahedra that share corners with two equivalent Ir(3)Y6Ir6 cuboctahedra, corners with fifteen equivalent Ir(1)Y5Ir7 cuboctahedra, edges with eight equivalent Ir(1)Y5Ir7 cuboctahedra, faces with three equivalent Ir(3)Y6Ir6 cuboctahedra, and faces with eleven equivalent Ir(1)Y5Ir7 cuboctahedra. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to three equivalent Y(2) and six equivalent Ir(1) atoms. In the third Ir site, Ir(3) is bonded to six equivalent Y(1) and six equivalent Ir(1) atoms to form IrY6Ir6 cuboctahedra that share corners with twelve equivalent Ir(1)Y5Ir7 cuboctahedra, edges with six equivalent Ir(3)Y6Ir6 cuboctahedra, and faces with eighteen equivalent Ir(1)Y5Ir7 cuboctahedra. is represented by the CIF file [CIF]
data_YIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.284
_cell_length_b   5.284
_cell_length_c   9.263
_cell_angle_alpha   73.427
_cell_angle_beta   73.427
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   211.502
_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
  Y  Y0  1  0.139  0.139  0.582  1.0
  Y  Y1  1  0.861  0.861  0.418  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Ir  Ir3  1  0.084  0.581  0.755  1.0
  Ir  Ir4  1  0.581  0.581  0.755  1.0
  Ir  Ir5  1  0.581  0.084  0.755  1.0
  Ir  Ir6  1  0.916  0.419  0.245  1.0
  Ir  Ir7  1  0.419  0.419  0.245  1.0
  Ir  Ir8  1  0.419  0.916  0.245  1.0
  Ir  Ir9  1  0.332  0.332  0.003  1.0
  Ir  Ir10  1  0.668  0.668  0.997  1.0
  Ir  Ir11  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Ir3Y crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to three equivalent Ir(3) and nine equivalent Ir(1) atoms. In the second Y site, Y(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ir(2) and twelve equivalent Ir(1) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent Y(2), three equivalent Y(1), one Ir(3), two equivalent Ir(2), and four equivalent Ir(1) atoms to form distorted IrY5Ir7 cuboctahedra that share corners with two equivalent Ir(3)Y6Ir6 cuboctahedra, corners with fifteen equivalent Ir(1)Y5Ir7 cuboctahedra, edges with eight equivalent Ir(1)Y5Ir7 cuboctahedra, faces with three equivalent Ir(3)Y6Ir6 cuboctahedra, and faces with eleven equivalent Ir(1)Y5Ir7 cuboctahedra. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to three equivalent Y(2) and six equivalent Ir(1) atoms. In the third Ir site, Ir(3) is bonded to six equivalent Y(1) and six equivalent Ir(1) atoms to form IrY6Ir6 cuboctahedra that share corners with twelve equivalent Ir(1)Y5Ir7 cuboctahedra, edges with six equivalent Ir(3)Y6Ir6 cuboctahedra, and faces with eighteen equivalent Ir(1)Y5Ir7 cuboctahedra. is represented by the CIF file [CIF]
data_YIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.284
_cell_length_b   5.284
_cell_length_c   9.263
_cell_angle_alpha   73.427
_cell_angle_beta   73.427
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   211.502
_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
  Y  Y0  1  0.139  0.139  0.582  1.0
  Y  Y1  1  0.861  0.861  0.418  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Ir  Ir3  1  0.084  0.581  0.755  1.0
  Ir  Ir4  1  0.581  0.581  0.755  1.0
  Ir  Ir5  1  0.581  0.084  0.755  1.0
  Ir  Ir6  1  0.916  0.419  0.245  1.0
  Ir  Ir7  1  0.419  0.419  0.245  1.0
  Ir  Ir8  1  0.419  0.916  0.245  1.0
  Ir  Ir9  1  0.332  0.332  0.003  1.0
  Ir  Ir10  1  0.668  0.668  0.997  1.0
  Ir  Ir11  1  0.500  0.500  0.500  1.0
[/CIF]
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