The material described by Gd4IrIn crystallizes in the cubic F-43m space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent In(1) atoms. In the second Gd site, Gd(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) and two equivalent In(1) atoms. In the third Gd site, Gd(3) is bonded in a 3-coordinate geometry to three equivalent Ir(1) and three equivalent In(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Gd(1), three equivalent Gd(2), and three equivalent Gd(3) atoms. In(1) is bonded to three equivalent Gd(1), three equivalent Gd(2), three equivalent Gd(3), and three equivalent In(1) atoms to form a mixture of distorted corner and face-sharing InGd9In3 cuboctahedra. is represented by the CIF card [CIF]
data_Gd4InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.782
_cell_length_b   9.782
_cell_length_c   9.782
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   661.783
_cell_formula_units_Z   4
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
  Gd  Gd0  1  0.939  0.561  0.561  1.0
  Gd  Gd1  1  0.939  0.561  0.939  1.0
  Gd  Gd2  1  0.939  0.939  0.561  1.0
  Gd  Gd3  1  0.561  0.939  0.939  1.0
  Gd  Gd4  1  0.561  0.939  0.561  1.0
  Gd  Gd5  1  0.561  0.561  0.939  1.0
  Gd  Gd6  1  0.809  0.191  0.191  1.0
  Gd  Gd7  1  0.809  0.191  0.809  1.0
  Gd  Gd8  1  0.809  0.809  0.191  1.0
  Gd  Gd9  1  0.191  0.809  0.809  1.0
  Gd  Gd10  1  0.191  0.809  0.191  1.0
  Gd  Gd11  1  0.191  0.191  0.809  1.0
  Gd  Gd12  1  0.955  0.348  0.348  1.0
  Gd  Gd13  1  0.348  0.955  0.348  1.0
  Gd  Gd14  1  0.348  0.348  0.955  1.0
  Gd  Gd15  1  0.348  0.348  0.348  1.0
  In  In16  1  0.253  0.582  0.582  1.0
  In  In17  1  0.582  0.253  0.582  1.0
  In  In18  1  0.582  0.582  0.253  1.0
  In  In19  1  0.582  0.582  0.582  1.0
  Ir  Ir20  1  0.577  0.141  0.141  1.0
  Ir  Ir21  1  0.141  0.577  0.141  1.0
  Ir  Ir22  1  0.141  0.141  0.577  1.0
  Ir  Ir23  1  0.141  0.141  0.141  1.0
[/CIF]
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The material described by Gd4IrIn crystallizes in the cubic F-43m space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent In(1) atoms. In the second Gd site, Gd(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) and two equivalent In(1) atoms. In the third Gd site, Gd(3) is bonded in a 3-coordinate geometry to three equivalent Ir(1) and three equivalent In(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Gd(1), three equivalent Gd(2), and three equivalent Gd(3) atoms. In(1) is bonded to three equivalent Gd(1), three equivalent Gd(2), three equivalent Gd(3), and three equivalent In(1) atoms to form a mixture of distorted corner and face-sharing InGd9In3 cuboctahedra. is represented by the CIF card [CIF]
data_Gd4InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.782
_cell_length_b   9.782
_cell_length_c   9.782
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   661.783
_cell_formula_units_Z   4
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
  Gd  Gd0  1  0.939  0.561  0.561  1.0
  Gd  Gd1  1  0.939  0.561  0.939  1.0
  Gd  Gd2  1  0.939  0.939  0.561  1.0
  Gd  Gd3  1  0.561  0.939  0.939  1.0
  Gd  Gd4  1  0.561  0.939  0.561  1.0
  Gd  Gd5  1  0.561  0.561  0.939  1.0
  Gd  Gd6  1  0.809  0.191  0.191  1.0
  Gd  Gd7  1  0.809  0.191  0.809  1.0
  Gd  Gd8  1  0.809  0.809  0.191  1.0
  Gd  Gd9  1  0.191  0.809  0.809  1.0
  Gd  Gd10  1  0.191  0.809  0.191  1.0
  Gd  Gd11  1  0.191  0.191  0.809  1.0
  Gd  Gd12  1  0.955  0.348  0.348  1.0
  Gd  Gd13  1  0.348  0.955  0.348  1.0
  Gd  Gd14  1  0.348  0.348  0.955  1.0
  Gd  Gd15  1  0.348  0.348  0.348  1.0
  In  In16  1  0.253  0.582  0.582  1.0
  In  In17  1  0.582  0.253  0.582  1.0
  In  In18  1  0.582  0.582  0.253  1.0
  In  In19  1  0.582  0.582  0.582  1.0
  Ir  Ir20  1  0.577  0.141  0.141  1.0
  Ir  Ir21  1  0.141  0.577  0.141  1.0
  Ir  Ir22  1  0.141  0.141  0.577  1.0
  Ir  Ir23  1  0.141  0.141  0.141  1.0
[/CIF]
.