The material described by Y2FeAl3 crystallizes in the trigonal R-3m space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Y(1), three equivalent Fe(1), and nine equivalent Al(1) atoms. Fe(1) is bonded to six equivalent Y(1) and six equivalent Al(1) atoms to form FeY6Al6 cuboctahedra that share corners with six equivalent Fe(1)Y6Al6 cuboctahedra, corners with twelve equivalent Al(1)Y6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)Y6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Y6Al4Fe2 cuboctahedra. Al(1) is bonded to six equivalent Y(1), two equivalent Fe(1), and four equivalent Al(1) atoms to form AlY6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)Y6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Y6Al4Fe2 cuboctahedra, edges with six equivalent Al(1)Y6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)Y6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Y6Al4Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Y2Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.424
_cell_length_b   5.424
_cell_length_c   5.424
_cell_angle_alpha   61.400
_cell_angle_beta   61.400
_cell_angle_gamma   61.400
_symmetry_Int_Tables_number   1
_cell_volume   116.408
_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
  Y  Y0  1  0.626  0.626  0.626  1.0
  Y  Y1  1  0.374  0.374  0.374  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Y2FeAl3 crystallizes in the trigonal R-3m space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Y(1), three equivalent Fe(1), and nine equivalent Al(1) atoms. Fe(1) is bonded to six equivalent Y(1) and six equivalent Al(1) atoms to form FeY6Al6 cuboctahedra that share corners with six equivalent Fe(1)Y6Al6 cuboctahedra, corners with twelve equivalent Al(1)Y6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)Y6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Y6Al4Fe2 cuboctahedra. Al(1) is bonded to six equivalent Y(1), two equivalent Fe(1), and four equivalent Al(1) atoms to form AlY6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)Y6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Y6Al4Fe2 cuboctahedra, edges with six equivalent Al(1)Y6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)Y6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Y6Al4Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Y2Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.424
_cell_length_b   5.424
_cell_length_c   5.424
_cell_angle_alpha   61.400
_cell_angle_beta   61.400
_cell_angle_gamma   61.400
_symmetry_Int_Tables_number   1
_cell_volume   116.408
_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
  Y  Y0  1  0.626  0.626  0.626  1.0
  Y  Y1  1  0.374  0.374  0.374  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
[/CIF]
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