The crystal structure described by AlFeY crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 16-coordinate geometry to one Y(1), three equivalent Y(2), three equivalent Fe(1), four equivalent Fe(2), one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to three equivalent Y(1), two equivalent Fe(2), three equivalent Fe(1), one Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Y(1), three equivalent Y(2), two equivalent Fe(2), one Al(1), one Al(3), and two equivalent Al(2) atoms to form distorted FeY6Al4Fe2 cuboctahedra that share corners with two equivalent Al(3)Y6Al4Fe2 cuboctahedra, corners with two equivalent Al(1)Y6Fe6 cuboctahedra, corners with four equivalent Fe(2)Y6Al2Fe4 cuboctahedra, corners with four equivalent Al(2)Y6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)Y6Al4Fe2 cuboctahedra, faces with two equivalent Fe(1)Y6Al4Fe2 cuboctahedra, faces with three equivalent Al(3)Y6Al4Fe2 cuboctahedra, faces with three equivalent Al(1)Y6Fe6 cuboctahedra, faces with six equivalent Fe(2)Y6Al2Fe4 cuboctahedra, and faces with six equivalent Al(2)Y6Al4Fe2 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Y(2), four equivalent Y(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Al(1) atoms to form FeY6Al2Fe4 cuboctahedra that share corners with four equivalent Fe(2)Y6Al2Fe4 cuboctahedra, corners with four equivalent Fe(1)Y6Al4Fe2 cuboctahedra, corners with four equivalent Al(3)Y6Al4Fe2 cuboctahedra, corners with six equivalent Al(2)Y6Al4Fe2 cuboctahedra, edges with two equivalent Fe(2)Y6Al2Fe4 cuboctahedra, edges with four equivalent Al(2)Y6Al4Fe2 cuboctahedra, faces with two equivalent Al(2)Y6Al4Fe2 cuboctahedra, faces with two equivalent Al(3)Y6Al4Fe2 cuboctahedra, faces with four equivalent Fe(2)Y6Al2Fe4 cuboctahedra, faces with four equivalent Al(1)Y6Fe6 cuboctahedra, and faces with six equivalent Fe(1)Y6Al4Fe2 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Y(2), four equivalent Y(1), two equivalent Fe(1), and four equivalent Fe(2) atoms to form AlY6Fe6 cuboctahedra that share corners with two equivalent Al(3)Y6Al4Fe2 cuboctahedra, corners with four equivalent Fe(1)Y6Al4Fe2 cuboctahedra, corners with four equivalent Al(1)Y6Fe6 cuboctahedra, corners with eight equivalent Al(2)Y6Al4Fe2 cuboctahedra, edges with two equivalent Al(1)Y6Fe6 cuboctahedra, edges with four equivalent Al(3)Y6Al4Fe2 cuboctahedra, faces with four equivalent Al(2)Y6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)Y6Al4Fe2 cuboctahedra, and faces with eight equivalent Fe(2)Y6Al2Fe4 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Y(1), four equivalent Y(2), two equivalent Fe(1), two equivalent Al(2), and two equivalent Al(3) atoms to form AlY6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)Y6Al4Fe2 cuboctahedra, corners with four equivalent Al(2)Y6Al4Fe2 cuboctahedra, corners with four equivalent Al(1)Y6Fe6 cuboctahedra, corners with six equivalent Fe(2)Y6Al2Fe4 cuboctahedra, edges with two equivalent Al(2)Y6Al4Fe2 cuboctahedra, edges with four equivalent Fe(2)Y6Al2Fe4 cuboctahedra, faces with two equivalent Fe(2)Y6Al2Fe4 cuboctahedra, faces with two equivalent Al(1)Y6Fe6 cuboctahedra, faces with four equivalent Al(2)Y6Al4Fe2 cuboctahedra, faces with four equivalent Al(3)Y6Al4Fe2 cuboctahedra, and faces with six equivalent Fe(1)Y6Al4Fe2 cuboctahedra. In the third Al site, Al(3) is bonded to two equivalent Y(1), four equivalent Y(2), two equivalent Fe(1), and four equivalent Al(2) atoms to form AlY6Al4Fe2 cuboctahedra that share corners with two equivalent Al(1)Y6Fe6 cuboctahedra, corners with four equivalent Fe(1)Y6Al4Fe2 cuboctahedra, corners with four equivalent Al(3)Y6Al4Fe2 cuboctahedra, corners with eight equivalent Fe(2)Y6Al2Fe4 cuboctahedra, edges with two equivalent Al(3)Y6Al4Fe2 cuboctahedra, edges with four equivalent Al(1)Y6Fe6 cuboctahedra, faces with four equivalent Fe(2)Y6Al2Fe4 cuboctahedra, faces with six equivalent Fe(1)Y6Al4Fe2 cuboctahedra, and faces with eight equivalent Al(2)Y6Al4Fe2 cuboctahedra. is represented by the CIF file [CIF]
data_YAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   5.395
_cell_length_c   8.590
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.927
_symmetry_Int_Tables_number   1
_cell_volume   217.142
_cell_formula_units_Z   4
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
  Y  Y0  1  0.665  0.332  0.565  1.0
  Y  Y1  1  0.326  0.663  0.448  1.0
  Y  Y2  1  0.326  0.663  0.052  1.0
  Y  Y3  1  0.665  0.332  0.935  1.0
  Al  Al4  1  0.673  0.837  0.750  1.0
  Al  Al5  1  0.837  0.675  0.250  1.0
  Al  Al6  1  0.837  0.162  0.250  1.0
  Al  Al7  1  0.328  0.164  0.250  1.0
  Fe  Fe8  1  0.015  0.008  0.513  1.0
  Fe  Fe9  1  0.015  0.008  0.987  1.0
  Fe  Fe10  1  0.157  0.323  0.750  1.0
  Fe  Fe11  1  0.157  0.834  0.750  1.0
[/CIF]
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The crystal structure described by AlFeY crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 16-coordinate geometry to one Y(1), three equivalent Y(2), three equivalent Fe(1), four equivalent Fe(2), one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to three equivalent Y(1), two equivalent Fe(2), three equivalent Fe(1), one Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Y(1), three equivalent Y(2), two equivalent Fe(2), one Al(1), one Al(3), and two equivalent Al(2) atoms to form distorted FeY6Al4Fe2 cuboctahedra that share corners with two equivalent Al(3)Y6Al4Fe2 cuboctahedra, corners with two equivalent Al(1)Y6Fe6 cuboctahedra, corners with four equivalent Fe(2)Y6Al2Fe4 cuboctahedra, corners with four equivalent Al(2)Y6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)Y6Al4Fe2 cuboctahedra, faces with two equivalent Fe(1)Y6Al4Fe2 cuboctahedra, faces with three equivalent Al(3)Y6Al4Fe2 cuboctahedra, faces with three equivalent Al(1)Y6Fe6 cuboctahedra, faces with six equivalent Fe(2)Y6Al2Fe4 cuboctahedra, and faces with six equivalent Al(2)Y6Al4Fe2 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Y(2), four equivalent Y(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Al(1) atoms to form FeY6Al2Fe4 cuboctahedra that share corners with four equivalent Fe(2)Y6Al2Fe4 cuboctahedra, corners with four equivalent Fe(1)Y6Al4Fe2 cuboctahedra, corners with four equivalent Al(3)Y6Al4Fe2 cuboctahedra, corners with six equivalent Al(2)Y6Al4Fe2 cuboctahedra, edges with two equivalent Fe(2)Y6Al2Fe4 cuboctahedra, edges with four equivalent Al(2)Y6Al4Fe2 cuboctahedra, faces with two equivalent Al(2)Y6Al4Fe2 cuboctahedra, faces with two equivalent Al(3)Y6Al4Fe2 cuboctahedra, faces with four equivalent Fe(2)Y6Al2Fe4 cuboctahedra, faces with four equivalent Al(1)Y6Fe6 cuboctahedra, and faces with six equivalent Fe(1)Y6Al4Fe2 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Y(2), four equivalent Y(1), two equivalent Fe(1), and four equivalent Fe(2) atoms to form AlY6Fe6 cuboctahedra that share corners with two equivalent Al(3)Y6Al4Fe2 cuboctahedra, corners with four equivalent Fe(1)Y6Al4Fe2 cuboctahedra, corners with four equivalent Al(1)Y6Fe6 cuboctahedra, corners with eight equivalent Al(2)Y6Al4Fe2 cuboctahedra, edges with two equivalent Al(1)Y6Fe6 cuboctahedra, edges with four equivalent Al(3)Y6Al4Fe2 cuboctahedra, faces with four equivalent Al(2)Y6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)Y6Al4Fe2 cuboctahedra, and faces with eight equivalent Fe(2)Y6Al2Fe4 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Y(1), four equivalent Y(2), two equivalent Fe(1), two equivalent Al(2), and two equivalent Al(3) atoms to form AlY6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)Y6Al4Fe2 cuboctahedra, corners with four equivalent Al(2)Y6Al4Fe2 cuboctahedra, corners with four equivalent Al(1)Y6Fe6 cuboctahedra, corners with six equivalent Fe(2)Y6Al2Fe4 cuboctahedra, edges with two equivalent Al(2)Y6Al4Fe2 cuboctahedra, edges with four equivalent Fe(2)Y6Al2Fe4 cuboctahedra, faces with two equivalent Fe(2)Y6Al2Fe4 cuboctahedra, faces with two equivalent Al(1)Y6Fe6 cuboctahedra, faces with four equivalent Al(2)Y6Al4Fe2 cuboctahedra, faces with four equivalent Al(3)Y6Al4Fe2 cuboctahedra, and faces with six equivalent Fe(1)Y6Al4Fe2 cuboctahedra. In the third Al site, Al(3) is bonded to two equivalent Y(1), four equivalent Y(2), two equivalent Fe(1), and four equivalent Al(2) atoms to form AlY6Al4Fe2 cuboctahedra that share corners with two equivalent Al(1)Y6Fe6 cuboctahedra, corners with four equivalent Fe(1)Y6Al4Fe2 cuboctahedra, corners with four equivalent Al(3)Y6Al4Fe2 cuboctahedra, corners with eight equivalent Fe(2)Y6Al2Fe4 cuboctahedra, edges with two equivalent Al(3)Y6Al4Fe2 cuboctahedra, edges with four equivalent Al(1)Y6Fe6 cuboctahedra, faces with four equivalent Fe(2)Y6Al2Fe4 cuboctahedra, faces with six equivalent Fe(1)Y6Al4Fe2 cuboctahedra, and faces with eight equivalent Al(2)Y6Al4Fe2 cuboctahedra. is represented by the CIF file [CIF]
data_YAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   5.395
_cell_length_c   8.590
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.927
_symmetry_Int_Tables_number   1
_cell_volume   217.142
_cell_formula_units_Z   4
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
  Y  Y0  1  0.665  0.332  0.565  1.0
  Y  Y1  1  0.326  0.663  0.448  1.0
  Y  Y2  1  0.326  0.663  0.052  1.0
  Y  Y3  1  0.665  0.332  0.935  1.0
  Al  Al4  1  0.673  0.837  0.750  1.0
  Al  Al5  1  0.837  0.675  0.250  1.0
  Al  Al6  1  0.837  0.162  0.250  1.0
  Al  Al7  1  0.328  0.164  0.250  1.0
  Fe  Fe8  1  0.015  0.008  0.513  1.0
  Fe  Fe9  1  0.015  0.008  0.987  1.0
  Fe  Fe10  1  0.157  0.323  0.750  1.0
  Fe  Fe11  1  0.157  0.834  0.750  1.0
[/CIF]
.