The material structure described by Al3Y crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to three equivalent Al(2) and nine equivalent Al(1) atoms to form a mixture of distorted face and corner-sharing YAl12 cuboctahedra. In the second Y site, Y(2) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form a mixture of face and corner-sharing YAl12 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Y(2), three equivalent Y(1), two equivalent Al(2), and four equivalent Al(1) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Y(2), four equivalent Al(1), and four equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_YAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.852
_cell_length_b   7.852
_cell_length_c   7.852
_cell_angle_alpha   46.526
_cell_angle_beta   46.526
_cell_angle_gamma   46.526
_symmetry_Int_Tables_number   1
_cell_volume   232.793
_cell_formula_units_Z   3
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  0.783  0.783  0.783  1.0
  Y  Y1  1  0.217  0.217  0.217  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.701  0.701  0.267  1.0
  Al  Al4  1  0.701  0.267  0.701  1.0
  Al  Al5  1  0.267  0.701  0.701  1.0
  Al  Al6  1  0.500  0.500  0.000  1.0
  Al  Al7  1  0.000  0.500  0.500  1.0
  Al  Al8  1  0.500  0.000  0.500  1.0
  Al  Al9  1  0.299  0.733  0.299  1.0
  Al  Al10  1  0.299  0.299  0.733  1.0
  Al  Al11  1  0.733  0.299  0.299  1.0
[/CIF]
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The material structure described by Al3Y crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to three equivalent Al(2) and nine equivalent Al(1) atoms to form a mixture of distorted face and corner-sharing YAl12 cuboctahedra. In the second Y site, Y(2) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form a mixture of face and corner-sharing YAl12 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Y(2), three equivalent Y(1), two equivalent Al(2), and four equivalent Al(1) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Y(2), four equivalent Al(1), and four equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_YAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.852
_cell_length_b   7.852
_cell_length_c   7.852
_cell_angle_alpha   46.526
_cell_angle_beta   46.526
_cell_angle_gamma   46.526
_symmetry_Int_Tables_number   1
_cell_volume   232.793
_cell_formula_units_Z   3
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  0.783  0.783  0.783  1.0
  Y  Y1  1  0.217  0.217  0.217  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.701  0.701  0.267  1.0
  Al  Al4  1  0.701  0.267  0.701  1.0
  Al  Al5  1  0.267  0.701  0.701  1.0
  Al  Al6  1  0.500  0.500  0.000  1.0
  Al  Al7  1  0.000  0.500  0.500  1.0
  Al  Al8  1  0.500  0.000  0.500  1.0
  Al  Al9  1  0.299  0.733  0.299  1.0
  Al  Al10  1  0.299  0.299  0.733  1.0
  Al  Al11  1  0.733  0.299  0.299  1.0
[/CIF]
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