The material described by YbIrIn5 crystallizes in the tetragonal P4/mmm space group. Yb(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form YbIn12 cuboctahedra that share corners with four equivalent Yb(1)In12 cuboctahedra, faces with four equivalent Yb(1)In12 cuboctahedra, and faces with four equivalent In(2)Yb4In8 cuboctahedra. Ir(1) is bonded in a body-centered cubic geometry to eight equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to two equivalent Yb(1), two equivalent Ir(1), and two equivalent In(2) atoms. In the second In site, In(2) is bonded to four equivalent Yb(1) and eight equivalent In(1) atoms to form distorted InYb4In8 cuboctahedra that share corners with four equivalent In(2)Yb4In8 cuboctahedra, faces with four equivalent Yb(1)In12 cuboctahedra, and faces with four equivalent In(2)Yb4In8 cuboctahedra. is represented by the CIF file [CIF]
data_YbIn5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.646
_cell_length_b   4.646
_cell_length_c   7.417
_cell_angle_alpha   89.998
_cell_angle_beta   90.003
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   160.095
_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
  Yb  Yb0  1  0.000  1.000  0.000  1.0
  In  In1  1  1.000  0.500  0.701  1.0
  In  In2  1  0.000  0.500  0.299  1.0
  In  In3  1  0.500  0.000  0.701  1.0
  In  In4  1  0.500  1.000  0.299  1.0
  In  In5  1  0.500  0.500  0.000  1.0
  Ir  Ir6  1  1.000  0.000  0.500  1.0
[/CIF]
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The material described by YbIrIn5 crystallizes in the tetragonal P4/mmm space group. Yb(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form YbIn12 cuboctahedra that share corners with four equivalent Yb(1)In12 cuboctahedra, faces with four equivalent Yb(1)In12 cuboctahedra, and faces with four equivalent In(2)Yb4In8 cuboctahedra. Ir(1) is bonded in a body-centered cubic geometry to eight equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to two equivalent Yb(1), two equivalent Ir(1), and two equivalent In(2) atoms. In the second In site, In(2) is bonded to four equivalent Yb(1) and eight equivalent In(1) atoms to form distorted InYb4In8 cuboctahedra that share corners with four equivalent In(2)Yb4In8 cuboctahedra, faces with four equivalent Yb(1)In12 cuboctahedra, and faces with four equivalent In(2)Yb4In8 cuboctahedra. is represented by the CIF file [CIF]
data_YbIn5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.646
_cell_length_b   4.646
_cell_length_c   7.417
_cell_angle_alpha   89.998
_cell_angle_beta   90.003
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   160.095
_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
  Yb  Yb0  1  0.000  1.000  0.000  1.0
  In  In1  1  1.000  0.500  0.701  1.0
  In  In2  1  0.000  0.500  0.299  1.0
  In  In3  1  0.500  0.000  0.701  1.0
  In  In4  1  0.500  1.000  0.299  1.0
  In  In5  1  0.500  0.500  0.000  1.0
  Ir  Ir6  1  1.000  0.000  0.500  1.0
[/CIF]
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