The compound described by Yb6Fe23 crystallizes in the cubic Fm-3m space group. Yb(1) is bonded in a 12-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(3) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(4) is bonded in a body-centered cubic geometry to eight equivalent Fe(3) atoms. In the second Fe site, Fe(1) is bonded in a distorted q6 geometry to three equivalent Yb(1), three equivalent Fe(1), three equivalent Fe(2), and three equivalent Fe(3) atoms. In the third Fe site, Fe(2) is bonded to four equivalent Yb(1), four equivalent Fe(1), and four equivalent Fe(3) atoms to form a mixture of face and corner-sharing FeYb4Fe8 cuboctahedra. In the fourth Fe site, Fe(3) is bonded in a 13-coordinate geometry to three equivalent Yb(1), one Fe(4), three equivalent Fe(1), three equivalent Fe(2), and three equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_Yb6Fe23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.442
_cell_length_b   8.442
_cell_length_c   8.442
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   425.483
_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
  Yb  Yb0  1  0.211  0.789  0.211  1.0
  Yb  Yb1  1  0.211  0.789  0.789  1.0
  Yb  Yb2  1  0.789  0.789  0.211  1.0
  Yb  Yb3  1  0.789  0.211  0.211  1.0
  Yb  Yb4  1  0.211  0.211  0.789  1.0
  Yb  Yb5  1  0.789  0.211  0.789  1.0
  Fe  Fe6  1  0.824  0.824  0.527  1.0
  Fe  Fe7  1  0.176  0.176  0.473  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.380  0.380  0.380  1.0
  Fe  Fe10  1  0.473  0.176  0.176  1.0
  Fe  Fe11  1  0.620  0.140  0.620  1.0
  Fe  Fe12  1  0.000  0.500  0.000  1.0
  Fe  Fe13  1  0.824  0.824  0.824  1.0
  Fe  Fe14  1  0.824  0.527  0.824  1.0
  Fe  Fe15  1  0.620  0.620  0.140  1.0
  Fe  Fe16  1  0.500  0.500  0.500  1.0
  Fe  Fe17  1  0.176  0.473  0.176  1.0
  Fe  Fe18  1  0.380  0.860  0.380  1.0
  Fe  Fe19  1  0.176  0.176  0.176  1.0
  Fe  Fe20  1  0.500  0.500  0.000  1.0
  Fe  Fe21  1  0.500  0.000  0.000  1.0
  Fe  Fe22  1  0.140  0.620  0.620  1.0
  Fe  Fe23  1  0.527  0.824  0.824  1.0
  Fe  Fe24  1  0.620  0.620  0.620  1.0
  Fe  Fe25  1  0.380  0.380  0.860  1.0
  Fe  Fe26  1  0.000  0.500  0.500  1.0
  Fe  Fe27  1  0.860  0.380  0.380  1.0
  Fe  Fe28  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by Yb6Fe23 crystallizes in the cubic Fm-3m space group. Yb(1) is bonded in a 12-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(3) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(4) is bonded in a body-centered cubic geometry to eight equivalent Fe(3) atoms. In the second Fe site, Fe(1) is bonded in a distorted q6 geometry to three equivalent Yb(1), three equivalent Fe(1), three equivalent Fe(2), and three equivalent Fe(3) atoms. In the third Fe site, Fe(2) is bonded to four equivalent Yb(1), four equivalent Fe(1), and four equivalent Fe(3) atoms to form a mixture of face and corner-sharing FeYb4Fe8 cuboctahedra. In the fourth Fe site, Fe(3) is bonded in a 13-coordinate geometry to three equivalent Yb(1), one Fe(4), three equivalent Fe(1), three equivalent Fe(2), and three equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_Yb6Fe23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.442
_cell_length_b   8.442
_cell_length_c   8.442
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   425.483
_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
  Yb  Yb0  1  0.211  0.789  0.211  1.0
  Yb  Yb1  1  0.211  0.789  0.789  1.0
  Yb  Yb2  1  0.789  0.789  0.211  1.0
  Yb  Yb3  1  0.789  0.211  0.211  1.0
  Yb  Yb4  1  0.211  0.211  0.789  1.0
  Yb  Yb5  1  0.789  0.211  0.789  1.0
  Fe  Fe6  1  0.824  0.824  0.527  1.0
  Fe  Fe7  1  0.176  0.176  0.473  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.380  0.380  0.380  1.0
  Fe  Fe10  1  0.473  0.176  0.176  1.0
  Fe  Fe11  1  0.620  0.140  0.620  1.0
  Fe  Fe12  1  0.000  0.500  0.000  1.0
  Fe  Fe13  1  0.824  0.824  0.824  1.0
  Fe  Fe14  1  0.824  0.527  0.824  1.0
  Fe  Fe15  1  0.620  0.620  0.140  1.0
  Fe  Fe16  1  0.500  0.500  0.500  1.0
  Fe  Fe17  1  0.176  0.473  0.176  1.0
  Fe  Fe18  1  0.380  0.860  0.380  1.0
  Fe  Fe19  1  0.176  0.176  0.176  1.0
  Fe  Fe20  1  0.500  0.500  0.000  1.0
  Fe  Fe21  1  0.500  0.000  0.000  1.0
  Fe  Fe22  1  0.140  0.620  0.620  1.0
  Fe  Fe23  1  0.527  0.824  0.824  1.0
  Fe  Fe24  1  0.620  0.620  0.620  1.0
  Fe  Fe25  1  0.380  0.380  0.860  1.0
  Fe  Fe26  1  0.000  0.500  0.500  1.0
  Fe  Fe27  1  0.860  0.380  0.380  1.0
  Fe  Fe28  1  0.500  0.000  0.500  1.0
[/CIF]
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