The crystal structure described by Yb(FeAl)6 crystallizes in the orthorhombic Immm space group. Yb(1) is bonded in a 20-coordinate geometry to four equivalent Fe(2), eight equivalent Fe(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Yb(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, edge, and face-sharing FeYb2Al6Fe4 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Yb(1), four equivalent Fe(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, edge, and face-sharing FeYb2Al6Fe4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Yb(1), two equivalent Fe(2), four equivalent Fe(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Yb(1), two equivalent Fe(2), and four equivalent Fe(1) atoms. In the third Al site, Al(3) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Fe(2), four equivalent Fe(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Yb(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.956
_cell_length_b   6.549
_cell_length_c   6.549
_cell_angle_alpha   98.559
_cell_angle_beta   112.231
_cell_angle_gamma   67.769
_symmetry_Int_Tables_number   1
_cell_volume   182.133
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.654  0.346  0.654  1.0
  Al  Al2  1  0.346  0.654  0.346  1.0
  Al  Al3  1  0.000  0.334  0.334  1.0
  Al  Al4  1  0.000  0.666  0.666  1.0
  Al  Al5  1  0.692  0.808  0.192  1.0
  Al  Al6  1  0.308  0.192  0.808  1.0
  Fe  Fe7  1  0.500  0.000  0.500  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  0.000  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.500  0.758  0.758  1.0
  Fe  Fe12  1  0.500  0.242  0.242  1.0
[/CIF]
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The crystal structure described by Yb(FeAl)6 crystallizes in the orthorhombic Immm space group. Yb(1) is bonded in a 20-coordinate geometry to four equivalent Fe(2), eight equivalent Fe(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Yb(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, edge, and face-sharing FeYb2Al6Fe4 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Yb(1), four equivalent Fe(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted corner, edge, and face-sharing FeYb2Al6Fe4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Yb(1), two equivalent Fe(2), four equivalent Fe(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Yb(1), two equivalent Fe(2), and four equivalent Fe(1) atoms. In the third Al site, Al(3) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Fe(2), four equivalent Fe(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Yb(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.956
_cell_length_b   6.549
_cell_length_c   6.549
_cell_angle_alpha   98.559
_cell_angle_beta   112.231
_cell_angle_gamma   67.769
_symmetry_Int_Tables_number   1
_cell_volume   182.133
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.654  0.346  0.654  1.0
  Al  Al2  1  0.346  0.654  0.346  1.0
  Al  Al3  1  0.000  0.334  0.334  1.0
  Al  Al4  1  0.000  0.666  0.666  1.0
  Al  Al5  1  0.692  0.808  0.192  1.0
  Al  Al6  1  0.308  0.192  0.808  1.0
  Fe  Fe7  1  0.500  0.000  0.500  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  0.000  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.500  0.758  0.758  1.0
  Fe  Fe12  1  0.500  0.242  0.242  1.0
[/CIF]
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