The material structure described by Er4IrIn crystallizes in the cubic F-43m space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent In(1) atoms. In the second Er site, Er(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1) and three equivalent In(1) atoms. In the third Er site, Er(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) and two equivalent In(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Er(1), three equivalent Er(2), and three equivalent Er(3) atoms. In(1) is bonded in a 12-coordinate geometry to three equivalent Er(1), three equivalent Er(2), three equivalent Er(3), and three equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Er4InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.527
_cell_length_b   9.528
_cell_length_c   9.527
_cell_angle_alpha   60.000
_cell_angle_beta   59.999
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   611.537
_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
  Er  Er0  1  0.059  0.059  0.441  1.0
  Er  Er1  1  0.651  0.047  0.651  1.0
  Er  Er2  1  0.192  0.808  0.192  1.0
  Er  Er3  1  0.441  0.059  0.441  1.0
  Er  Er4  1  0.192  0.192  0.808  1.0
  Er  Er5  1  0.651  0.651  0.651  1.0
  Er  Er6  1  0.047  0.651  0.651  1.0
  Er  Er7  1  0.441  0.059  0.059  1.0
  Er  Er8  1  0.651  0.651  0.047  1.0
  Er  Er9  1  0.192  0.808  0.808  1.0
  Er  Er10  1  0.808  0.192  0.808  1.0
  Er  Er11  1  0.808  0.192  0.192  1.0
  Er  Er12  1  0.808  0.808  0.192  1.0
  Er  Er13  1  0.059  0.441  0.441  1.0
  Er  Er14  1  0.441  0.441  0.059  1.0
  Er  Er15  1  0.059  0.441  0.059  1.0
  In  In16  1  0.750  0.417  0.417  1.0
  In  In17  1  0.417  0.417  0.750  1.0
  In  In18  1  0.417  0.750  0.417  1.0
  In  In19  1  0.417  0.417  0.417  1.0
  Ir  Ir20  1  0.859  0.859  0.859  1.0
  Ir  Ir21  1  0.422  0.859  0.859  1.0
  Ir  Ir22  1  0.859  0.859  0.422  1.0
  Ir  Ir23  1  0.859  0.422  0.859  1.0
[/CIF]
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The material structure described by Er4IrIn crystallizes in the cubic F-43m space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent In(1) atoms. In the second Er site, Er(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1) and three equivalent In(1) atoms. In the third Er site, Er(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) and two equivalent In(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Er(1), three equivalent Er(2), and three equivalent Er(3) atoms. In(1) is bonded in a 12-coordinate geometry to three equivalent Er(1), three equivalent Er(2), three equivalent Er(3), and three equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Er4InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.527
_cell_length_b   9.528
_cell_length_c   9.527
_cell_angle_alpha   60.000
_cell_angle_beta   59.999
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   611.537
_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
  Er  Er0  1  0.059  0.059  0.441  1.0
  Er  Er1  1  0.651  0.047  0.651  1.0
  Er  Er2  1  0.192  0.808  0.192  1.0
  Er  Er3  1  0.441  0.059  0.441  1.0
  Er  Er4  1  0.192  0.192  0.808  1.0
  Er  Er5  1  0.651  0.651  0.651  1.0
  Er  Er6  1  0.047  0.651  0.651  1.0
  Er  Er7  1  0.441  0.059  0.059  1.0
  Er  Er8  1  0.651  0.651  0.047  1.0
  Er  Er9  1  0.192  0.808  0.808  1.0
  Er  Er10  1  0.808  0.192  0.808  1.0
  Er  Er11  1  0.808  0.192  0.192  1.0
  Er  Er12  1  0.808  0.808  0.192  1.0
  Er  Er13  1  0.059  0.441  0.441  1.0
  Er  Er14  1  0.441  0.441  0.059  1.0
  Er  Er15  1  0.059  0.441  0.059  1.0
  In  In16  1  0.750  0.417  0.417  1.0
  In  In17  1  0.417  0.417  0.750  1.0
  In  In18  1  0.417  0.750  0.417  1.0
  In  In19  1  0.417  0.417  0.417  1.0
  Ir  Ir20  1  0.859  0.859  0.859  1.0
  Ir  Ir21  1  0.422  0.859  0.859  1.0
  Ir  Ir22  1  0.859  0.859  0.422  1.0
  Ir  Ir23  1  0.859  0.422  0.859  1.0
[/CIF]
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