The material structure described by Y3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to three equivalent Ni(2), six equivalent Ni(1), and three equivalent Al(1) atoms to form YAl3Ni9 cuboctahedra that share corners with three equivalent Ni(2)Y3Al3Ni6 cuboctahedra, corners with three equivalent Al(1)Y5Ni3 hexagonal bipyramids, edges with six equivalent Y(1)Al3Ni9 cuboctahedra, edges with three equivalent Al(1)Y5Ni3 hexagonal bipyramids, faces with two equivalent Ni(3)Y6Ni6 cuboctahedra, and faces with three equivalent Ni(2)Y3Al3Ni6 cuboctahedra. In the second Y site, Y(2) is bonded in a 13-coordinate geometry to three equivalent Ni(3), nine equivalent Ni(1), and one Al(1) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Y(1), three equivalent Y(2), one Ni(2), one Ni(3), and four equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded to three equivalent Y(1), six equivalent Ni(1), and three equivalent Al(1) atoms to form NiY3Al3Ni6 cuboctahedra that share corners with three equivalent Y(1)Al3Ni9 cuboctahedra, corners with six equivalent Ni(3)Y6Ni6 cuboctahedra, corners with three equivalent Al(1)Y5Ni3 hexagonal bipyramids, edges with six equivalent Ni(2)Y3Al3Ni6 cuboctahedra, edges with three equivalent Al(1)Y5Ni3 hexagonal bipyramids, and faces with three equivalent Y(1)Al3Ni9 cuboctahedra. In the third Ni site, Ni(3) is bonded to six equivalent Y(2) and six equivalent Ni(1) atoms to form NiY6Ni6 cuboctahedra that share corners with six equivalent Ni(2)Y3Al3Ni6 cuboctahedra, corners with six equivalent Al(1)Y5Ni3 hexagonal bipyramids, edges with six equivalent Ni(3)Y6Ni6 cuboctahedra, and faces with two equivalent Y(1)Al3Ni9 cuboctahedra. Al(1) is bonded to two equivalent Y(2), three equivalent Y(1), and three equivalent Ni(2) atoms to form distorted AlY5Ni3 hexagonal bipyramids that share corners with three equivalent Y(1)Al3Ni9 cuboctahedra, corners with three equivalent Ni(2)Y3Al3Ni6 cuboctahedra, corners with six equivalent Ni(3)Y6Ni6 cuboctahedra, edges with three equivalent Y(1)Al3Ni9 cuboctahedra, edges with three equivalent Ni(2)Y3Al3Ni6 cuboctahedra, and edges with six equivalent Al(1)Y5Ni3 hexagonal bipyramids. is represented by the CIF file [CIF]
data_Y3AlNi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   5.077
_cell_length_c   16.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.027
_symmetry_Int_Tables_number   1
_cell_volume   369.469
_cell_formula_units_Z   2
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  0.000  1.000  0.750  1.0
  Y  Y1  1  1.000  0.000  0.250  1.0
  Y  Y2  1  0.667  0.333  0.047  1.0
  Y  Y3  1  0.333  0.667  0.953  1.0
  Y  Y4  1  0.333  0.667  0.547  1.0
  Y  Y5  1  0.667  0.333  0.453  1.0
  Al  Al6  1  0.667  0.333  0.250  1.0
  Al  Al7  1  0.333  0.667  0.750  1.0
  Ni  Ni8  1  0.826  0.651  0.618  1.0
  Ni  Ni9  1  0.826  0.174  0.618  1.0
  Ni  Ni10  1  0.349  0.174  0.618  1.0
  Ni  Ni11  1  0.174  0.349  0.382  1.0
  Ni  Ni12  1  0.174  0.826  0.382  1.0
  Ni  Ni13  1  0.651  0.826  0.382  1.0
  Ni  Ni14  1  0.174  0.349  0.118  1.0
  Ni  Ni15  1  0.174  0.826  0.118  1.0
  Ni  Ni16  1  0.651  0.826  0.118  1.0
  Ni  Ni17  1  0.826  0.651  0.882  1.0
  Ni  Ni18  1  0.826  0.174  0.882  1.0
  Ni  Ni19  1  0.349  0.174  0.882  1.0
  Ni  Ni20  1  0.667  0.333  0.750  1.0
  Ni  Ni21  1  0.333  0.667  0.250  1.0
  Ni  Ni22  1  0.000  0.000  0.500  1.0
  Ni  Ni23  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Y3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to three equivalent Ni(2), six equivalent Ni(1), and three equivalent Al(1) atoms to form YAl3Ni9 cuboctahedra that share corners with three equivalent Ni(2)Y3Al3Ni6 cuboctahedra, corners with three equivalent Al(1)Y5Ni3 hexagonal bipyramids, edges with six equivalent Y(1)Al3Ni9 cuboctahedra, edges with three equivalent Al(1)Y5Ni3 hexagonal bipyramids, faces with two equivalent Ni(3)Y6Ni6 cuboctahedra, and faces with three equivalent Ni(2)Y3Al3Ni6 cuboctahedra. In the second Y site, Y(2) is bonded in a 13-coordinate geometry to three equivalent Ni(3), nine equivalent Ni(1), and one Al(1) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Y(1), three equivalent Y(2), one Ni(2), one Ni(3), and four equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded to three equivalent Y(1), six equivalent Ni(1), and three equivalent Al(1) atoms to form NiY3Al3Ni6 cuboctahedra that share corners with three equivalent Y(1)Al3Ni9 cuboctahedra, corners with six equivalent Ni(3)Y6Ni6 cuboctahedra, corners with three equivalent Al(1)Y5Ni3 hexagonal bipyramids, edges with six equivalent Ni(2)Y3Al3Ni6 cuboctahedra, edges with three equivalent Al(1)Y5Ni3 hexagonal bipyramids, and faces with three equivalent Y(1)Al3Ni9 cuboctahedra. In the third Ni site, Ni(3) is bonded to six equivalent Y(2) and six equivalent Ni(1) atoms to form NiY6Ni6 cuboctahedra that share corners with six equivalent Ni(2)Y3Al3Ni6 cuboctahedra, corners with six equivalent Al(1)Y5Ni3 hexagonal bipyramids, edges with six equivalent Ni(3)Y6Ni6 cuboctahedra, and faces with two equivalent Y(1)Al3Ni9 cuboctahedra. Al(1) is bonded to two equivalent Y(2), three equivalent Y(1), and three equivalent Ni(2) atoms to form distorted AlY5Ni3 hexagonal bipyramids that share corners with three equivalent Y(1)Al3Ni9 cuboctahedra, corners with three equivalent Ni(2)Y3Al3Ni6 cuboctahedra, corners with six equivalent Ni(3)Y6Ni6 cuboctahedra, edges with three equivalent Y(1)Al3Ni9 cuboctahedra, edges with three equivalent Ni(2)Y3Al3Ni6 cuboctahedra, and edges with six equivalent Al(1)Y5Ni3 hexagonal bipyramids. is represented by the CIF file [CIF]
data_Y3AlNi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   5.077
_cell_length_c   16.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.027
_symmetry_Int_Tables_number   1
_cell_volume   369.469
_cell_formula_units_Z   2
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  0.000  1.000  0.750  1.0
  Y  Y1  1  1.000  0.000  0.250  1.0
  Y  Y2  1  0.667  0.333  0.047  1.0
  Y  Y3  1  0.333  0.667  0.953  1.0
  Y  Y4  1  0.333  0.667  0.547  1.0
  Y  Y5  1  0.667  0.333  0.453  1.0
  Al  Al6  1  0.667  0.333  0.250  1.0
  Al  Al7  1  0.333  0.667  0.750  1.0
  Ni  Ni8  1  0.826  0.651  0.618  1.0
  Ni  Ni9  1  0.826  0.174  0.618  1.0
  Ni  Ni10  1  0.349  0.174  0.618  1.0
  Ni  Ni11  1  0.174  0.349  0.382  1.0
  Ni  Ni12  1  0.174  0.826  0.382  1.0
  Ni  Ni13  1  0.651  0.826  0.382  1.0
  Ni  Ni14  1  0.174  0.349  0.118  1.0
  Ni  Ni15  1  0.174  0.826  0.118  1.0
  Ni  Ni16  1  0.651  0.826  0.118  1.0
  Ni  Ni17  1  0.826  0.651  0.882  1.0
  Ni  Ni18  1  0.826  0.174  0.882  1.0
  Ni  Ni19  1  0.349  0.174  0.882  1.0
  Ni  Ni20  1  0.667  0.333  0.750  1.0
  Ni  Ni21  1  0.333  0.667  0.250  1.0
  Ni  Ni22  1  0.000  0.000  0.500  1.0
  Ni  Ni23  1  0.000  0.000  0.000  1.0
[/CIF]
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