The structure described by Er6Fe23 crystallizes in the cubic Fm-3m space group. Er(1) is bonded in a 12-coordinate geometry to four equivalent Fe(1), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(4) is bonded in a 13-coordinate geometry to three equivalent Er(1), one Fe(2), three equivalent Fe(1), three equivalent Fe(3), and three equivalent Fe(4) atoms. In the second Fe site, Fe(1) is bonded in a distorted q6 geometry to three equivalent Er(1), three equivalent Fe(1), three equivalent Fe(3), and three equivalent Fe(4) atoms. In the third Fe site, Fe(2) is bonded in a body-centered cubic geometry to eight equivalent Fe(4) atoms. In the fourth Fe site, Fe(3) is bonded to four equivalent Er(1), four equivalent Fe(1), and four equivalent Fe(4) atoms to form a mixture of corner and face-sharing FeEr4Fe8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er6Fe23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.453
_cell_length_b   8.453
_cell_length_c   8.453
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   427.115
_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  0.790  0.210  0.790  1.0
  Er  Er1  1  0.210  0.210  0.790  1.0
  Er  Er2  1  0.790  0.790  0.210  1.0
  Er  Er3  1  0.790  0.210  0.210  1.0
  Er  Er4  1  0.210  0.790  0.790  1.0
  Er  Er5  1  0.210  0.790  0.210  1.0
  Fe  Fe6  1  0.825  0.825  0.825  1.0
  Fe  Fe7  1  0.474  0.175  0.175  1.0
  Fe  Fe8  1  0.175  0.175  0.474  1.0
  Fe  Fe9  1  0.175  0.474  0.175  1.0
  Fe  Fe10  1  0.825  0.825  0.526  1.0
  Fe  Fe11  1  0.825  0.526  0.825  1.0
  Fe  Fe12  1  0.500  0.500  0.500  1.0
  Fe  Fe13  1  0.000  0.500  0.000  1.0
  Fe  Fe14  1  0.500  0.000  0.000  1.0
  Fe  Fe15  1  0.000  0.500  0.500  1.0
  Fe  Fe16  1  0.500  0.000  0.500  1.0
  Fe  Fe17  1  0.000  0.000  0.500  1.0
  Fe  Fe18  1  0.500  0.500  0.000  1.0
  Fe  Fe19  1  0.379  0.379  0.379  1.0
  Fe  Fe20  1  0.136  0.621  0.621  1.0
  Fe  Fe21  1  0.621  0.136  0.621  1.0
  Fe  Fe22  1  0.621  0.621  0.136  1.0
  Fe  Fe23  1  0.379  0.864  0.379  1.0
  Fe  Fe24  1  0.379  0.379  0.864  1.0
  Fe  Fe25  1  0.864  0.379  0.379  1.0
  Fe  Fe26  1  0.621  0.621  0.621  1.0
  Fe  Fe27  1  0.175  0.175  0.175  1.0
  Fe  Fe28  1  0.526  0.825  0.825  1.0
[/CIF]
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The structure described by Er6Fe23 crystallizes in the cubic Fm-3m space group. Er(1) is bonded in a 12-coordinate geometry to four equivalent Fe(1), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(4) is bonded in a 13-coordinate geometry to three equivalent Er(1), one Fe(2), three equivalent Fe(1), three equivalent Fe(3), and three equivalent Fe(4) atoms. In the second Fe site, Fe(1) is bonded in a distorted q6 geometry to three equivalent Er(1), three equivalent Fe(1), three equivalent Fe(3), and three equivalent Fe(4) atoms. In the third Fe site, Fe(2) is bonded in a body-centered cubic geometry to eight equivalent Fe(4) atoms. In the fourth Fe site, Fe(3) is bonded to four equivalent Er(1), four equivalent Fe(1), and four equivalent Fe(4) atoms to form a mixture of corner and face-sharing FeEr4Fe8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er6Fe23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.453
_cell_length_b   8.453
_cell_length_c   8.453
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   427.115
_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  0.790  0.210  0.790  1.0
  Er  Er1  1  0.210  0.210  0.790  1.0
  Er  Er2  1  0.790  0.790  0.210  1.0
  Er  Er3  1  0.790  0.210  0.210  1.0
  Er  Er4  1  0.210  0.790  0.790  1.0
  Er  Er5  1  0.210  0.790  0.210  1.0
  Fe  Fe6  1  0.825  0.825  0.825  1.0
  Fe  Fe7  1  0.474  0.175  0.175  1.0
  Fe  Fe8  1  0.175  0.175  0.474  1.0
  Fe  Fe9  1  0.175  0.474  0.175  1.0
  Fe  Fe10  1  0.825  0.825  0.526  1.0
  Fe  Fe11  1  0.825  0.526  0.825  1.0
  Fe  Fe12  1  0.500  0.500  0.500  1.0
  Fe  Fe13  1  0.000  0.500  0.000  1.0
  Fe  Fe14  1  0.500  0.000  0.000  1.0
  Fe  Fe15  1  0.000  0.500  0.500  1.0
  Fe  Fe16  1  0.500  0.000  0.500  1.0
  Fe  Fe17  1  0.000  0.000  0.500  1.0
  Fe  Fe18  1  0.500  0.500  0.000  1.0
  Fe  Fe19  1  0.379  0.379  0.379  1.0
  Fe  Fe20  1  0.136  0.621  0.621  1.0
  Fe  Fe21  1  0.621  0.136  0.621  1.0
  Fe  Fe22  1  0.621  0.621  0.136  1.0
  Fe  Fe23  1  0.379  0.864  0.379  1.0
  Fe  Fe24  1  0.379  0.379  0.864  1.0
  Fe  Fe25  1  0.864  0.379  0.379  1.0
  Fe  Fe26  1  0.621  0.621  0.621  1.0
  Fe  Fe27  1  0.175  0.175  0.175  1.0
  Fe  Fe28  1  0.526  0.825  0.825  1.0
[/CIF]
.