The structure described by Er12Fe2In3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent In(2) atoms. In the second Er site, Er(2) is bonded in a 3-coordinate geometry to one Fe(1), one In(1), and two equivalent In(2) atoms. Fe(1) is bonded in a 9-coordinate geometry to four equivalent Er(1), four equivalent Er(2), and one Fe(1) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded in a body-centered cubic geometry to eight equivalent Er(2) atoms. In the second In site, In(2) is bonded to four equivalent Er(1) and eight equivalent Er(2) atoms to form a mixture of distorted corner and face-sharing InEr12 cuboctahedra. is represented by the CIF card [CIF]
data_Er12In3Fe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.374
_cell_length_b   8.374
_cell_length_c   8.374
_cell_angle_alpha   109.911
_cell_angle_beta   109.911
_cell_angle_gamma   108.596
_symmetry_Int_Tables_number   1
_cell_volume   452.025
_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
  Er  Er0  1  0.306  0.306  0.613  1.0
  Er  Er1  1  0.694  0.694  0.387  1.0
  Er  Er2  1  0.306  0.694  0.000  1.0
  Er  Er3  1  0.694  0.306  0.000  1.0
  Er  Er4  1  0.454  0.206  0.248  1.0
  Er  Er5  1  0.546  0.794  0.752  1.0
  Er  Er6  1  0.958  0.206  0.752  1.0
  Er  Er7  1  0.206  0.958  0.752  1.0
  Er  Er8  1  0.042  0.794  0.248  1.0
  Er  Er9  1  0.794  0.042  0.248  1.0
  Er  Er10  1  0.206  0.454  0.248  1.0
  Er  Er11  1  0.794  0.546  0.752  1.0
  In  In12  1  0.000  0.000  0.000  1.0
  In  In13  1  0.500  0.000  0.500  1.0
  In  In14  1  0.000  0.500  0.500  1.0
  Fe  Fe15  1  0.384  0.384  0.000  1.0
  Fe  Fe16  1  0.616  0.616  0.000  1.0
[/CIF]
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The structure described by Er12Fe2In3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent In(2) atoms. In the second Er site, Er(2) is bonded in a 3-coordinate geometry to one Fe(1), one In(1), and two equivalent In(2) atoms. Fe(1) is bonded in a 9-coordinate geometry to four equivalent Er(1), four equivalent Er(2), and one Fe(1) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded in a body-centered cubic geometry to eight equivalent Er(2) atoms. In the second In site, In(2) is bonded to four equivalent Er(1) and eight equivalent Er(2) atoms to form a mixture of distorted corner and face-sharing InEr12 cuboctahedra. is represented by the CIF card [CIF]
data_Er12In3Fe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.374
_cell_length_b   8.374
_cell_length_c   8.374
_cell_angle_alpha   109.911
_cell_angle_beta   109.911
_cell_angle_gamma   108.596
_symmetry_Int_Tables_number   1
_cell_volume   452.025
_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
  Er  Er0  1  0.306  0.306  0.613  1.0
  Er  Er1  1  0.694  0.694  0.387  1.0
  Er  Er2  1  0.306  0.694  0.000  1.0
  Er  Er3  1  0.694  0.306  0.000  1.0
  Er  Er4  1  0.454  0.206  0.248  1.0
  Er  Er5  1  0.546  0.794  0.752  1.0
  Er  Er6  1  0.958  0.206  0.752  1.0
  Er  Er7  1  0.206  0.958  0.752  1.0
  Er  Er8  1  0.042  0.794  0.248  1.0
  Er  Er9  1  0.794  0.042  0.248  1.0
  Er  Er10  1  0.206  0.454  0.248  1.0
  Er  Er11  1  0.794  0.546  0.752  1.0
  In  In12  1  0.000  0.000  0.000  1.0
  In  In13  1  0.500  0.000  0.500  1.0
  In  In14  1  0.000  0.500  0.500  1.0
  Fe  Fe15  1  0.384  0.384  0.000  1.0
  Fe  Fe16  1  0.616  0.616  0.000  1.0
[/CIF]
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