The material described by Tb4IrIn crystallizes in the cubic F-43m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 3-coordinate geometry to three equivalent Ir(1) and three equivalent In(1) atoms. In the second Tb site, Tb(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) and two equivalent In(1) atoms. In the third Tb site, Tb(3) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent In(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Tb(1), three equivalent Tb(2), and three equivalent Tb(3) atoms. In(1) is bonded in a 12-coordinate geometry to three equivalent Tb(1), three equivalent Tb(2), three equivalent Tb(3), and three equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Tb4InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.668
_cell_length_b   9.668
_cell_length_c   9.668
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   639.055
_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
  Tb  Tb0  1  0.099  0.704  0.099  1.0
  Tb  Tb1  1  0.941  0.941  0.559  1.0
  Tb  Tb2  1  0.941  0.559  0.941  1.0
  Tb  Tb3  1  0.310  0.690  0.310  1.0
  Tb  Tb4  1  0.941  0.559  0.559  1.0
  Tb  Tb5  1  0.310  0.310  0.690  1.0
  Tb  Tb6  1  0.099  0.099  0.099  1.0
  Tb  Tb7  1  0.559  0.559  0.941  1.0
  Tb  Tb8  1  0.099  0.099  0.704  1.0
  Tb  Tb9  1  0.690  0.310  0.690  1.0
  Tb  Tb10  1  0.690  0.690  0.310  1.0
  Tb  Tb11  1  0.690  0.310  0.310  1.0
  Tb  Tb12  1  0.310  0.690  0.690  1.0
  Tb  Tb13  1  0.559  0.941  0.559  1.0
  Tb  Tb14  1  0.704  0.099  0.099  1.0
  Tb  Tb15  1  0.559  0.941  0.941  1.0
  In  In16  1  0.333  0.333  0.333  1.0
  In  In17  1  0.002  0.333  0.333  1.0
  In  In18  1  0.333  0.002  0.333  1.0
  In  In19  1  0.333  0.333  0.002  1.0
  Ir  Ir20  1  0.891  0.891  0.891  1.0
  Ir  Ir21  1  0.891  0.891  0.327  1.0
  Ir  Ir22  1  0.327  0.891  0.891  1.0
  Ir  Ir23  1  0.891  0.327  0.891  1.0
[/CIF]
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The material described by Tb4IrIn crystallizes in the cubic F-43m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 3-coordinate geometry to three equivalent Ir(1) and three equivalent In(1) atoms. In the second Tb site, Tb(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) and two equivalent In(1) atoms. In the third Tb site, Tb(3) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent In(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Tb(1), three equivalent Tb(2), and three equivalent Tb(3) atoms. In(1) is bonded in a 12-coordinate geometry to three equivalent Tb(1), three equivalent Tb(2), three equivalent Tb(3), and three equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Tb4InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.668
_cell_length_b   9.668
_cell_length_c   9.668
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   639.055
_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
  Tb  Tb0  1  0.099  0.704  0.099  1.0
  Tb  Tb1  1  0.941  0.941  0.559  1.0
  Tb  Tb2  1  0.941  0.559  0.941  1.0
  Tb  Tb3  1  0.310  0.690  0.310  1.0
  Tb  Tb4  1  0.941  0.559  0.559  1.0
  Tb  Tb5  1  0.310  0.310  0.690  1.0
  Tb  Tb6  1  0.099  0.099  0.099  1.0
  Tb  Tb7  1  0.559  0.559  0.941  1.0
  Tb  Tb8  1  0.099  0.099  0.704  1.0
  Tb  Tb9  1  0.690  0.310  0.690  1.0
  Tb  Tb10  1  0.690  0.690  0.310  1.0
  Tb  Tb11  1  0.690  0.310  0.310  1.0
  Tb  Tb12  1  0.310  0.690  0.690  1.0
  Tb  Tb13  1  0.559  0.941  0.559  1.0
  Tb  Tb14  1  0.704  0.099  0.099  1.0
  Tb  Tb15  1  0.559  0.941  0.941  1.0
  In  In16  1  0.333  0.333  0.333  1.0
  In  In17  1  0.002  0.333  0.333  1.0
  In  In18  1  0.333  0.002  0.333  1.0
  In  In19  1  0.333  0.333  0.002  1.0
  Ir  Ir20  1  0.891  0.891  0.891  1.0
  Ir  Ir21  1  0.891  0.891  0.327  1.0
  Ir  Ir22  1  0.327  0.891  0.891  1.0
  Ir  Ir23  1  0.891  0.327  0.891  1.0
[/CIF]
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