The material structure described by GdFe6Al6 crystallizes in the orthorhombic Immm space group. Gd(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 Gd(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 face, corner, and edge-sharing FeGd2Al6Fe4 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Gd(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 face, corner, and edge-sharing FeGd2Al6Fe4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Gd(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 8-coordinate geometry to one Gd(1), two equivalent Fe(2), four equivalent Fe(1), one Al(2), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Fe(2), four equivalent Fe(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.974
_cell_length_b   6.583
_cell_length_c   6.583
_cell_angle_alpha   98.339
_cell_angle_beta   112.196
_cell_angle_gamma   67.804
_symmetry_Int_Tables_number   1
_cell_volume   184.774
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.652  0.348  0.652  1.0
  Al  Al2  1  0.348  0.652  0.348  1.0
  Al  Al3  1  0.000  0.339  0.339  1.0
  Al  Al4  1  0.000  0.661  0.661  1.0
  Al  Al5  1  0.697  0.803  0.197  1.0
  Al  Al6  1  0.303  0.197  0.803  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  0.761  0.761  1.0
  Fe  Fe12  1  0.500  0.239  0.239  1.0
[/CIF]
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The material structure described by GdFe6Al6 crystallizes in the orthorhombic Immm space group. Gd(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 Gd(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 face, corner, and edge-sharing FeGd2Al6Fe4 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Gd(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 face, corner, and edge-sharing FeGd2Al6Fe4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Gd(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 8-coordinate geometry to one Gd(1), two equivalent Fe(2), four equivalent Fe(1), one Al(2), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Fe(2), four equivalent Fe(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.974
_cell_length_b   6.583
_cell_length_c   6.583
_cell_angle_alpha   98.339
_cell_angle_beta   112.196
_cell_angle_gamma   67.804
_symmetry_Int_Tables_number   1
_cell_volume   184.774
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.652  0.348  0.652  1.0
  Al  Al2  1  0.348  0.652  0.348  1.0
  Al  Al3  1  0.000  0.339  0.339  1.0
  Al  Al4  1  0.000  0.661  0.661  1.0
  Al  Al5  1  0.697  0.803  0.197  1.0
  Al  Al6  1  0.303  0.197  0.803  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  0.761  0.761  1.0
  Fe  Fe12  1  0.500  0.239  0.239  1.0
[/CIF]
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