The structure described by DyNi4Al crystallizes in the hexagonal P-6m2 space group. Dy(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), twelve equivalent Ni(2), and three equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Dy(1), six equivalent Ni(2), and three equivalent Al(1) atoms to form NiDy3Al3Ni6 cuboctahedra that share corners with nine equivalent Al(1)Dy3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)Dy4Al2Ni6 cuboctahedra, edges with six equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, faces with two equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, faces with three equivalent Al(1)Dy3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)Dy4Al2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Dy(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiDy4Al2Ni6 cuboctahedra that share corners with four equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, corners with four equivalent Al(1)Dy3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)Dy4Al2Ni6 cuboctahedra, edges with ten equivalent Ni(2)Dy4Al2Ni6 cuboctahedra, faces with six equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, faces with six equivalent Al(1)Dy3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)Dy4Al2Ni6 cuboctahedra. Al(1) is bonded to three equivalent Dy(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted AlDy3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)Dy4Al2Ni6 cuboctahedra, edges with six equivalent Al(1)Dy3Ni9 cuboctahedra, faces with two equivalent Al(1)Dy3Ni9 cuboctahedra, faces with three equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)Dy4Al2Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_DyAlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.030
_cell_length_b   5.030
_cell_length_c   3.858
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.518
_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
  Dy  Dy0  1  0.333  0.667  0.000  1.0
  Al  Al1  1  0.667  0.333  0.000  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.329  0.164  0.500  1.0
  Ni  Ni4  1  0.836  0.164  0.500  1.0
  Ni  Ni5  1  0.836  0.671  0.500  1.0
[/CIF]
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The structure described by DyNi4Al crystallizes in the hexagonal P-6m2 space group. Dy(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), twelve equivalent Ni(2), and three equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Dy(1), six equivalent Ni(2), and three equivalent Al(1) atoms to form NiDy3Al3Ni6 cuboctahedra that share corners with nine equivalent Al(1)Dy3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)Dy4Al2Ni6 cuboctahedra, edges with six equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, faces with two equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, faces with three equivalent Al(1)Dy3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)Dy4Al2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Dy(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiDy4Al2Ni6 cuboctahedra that share corners with four equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, corners with four equivalent Al(1)Dy3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)Dy4Al2Ni6 cuboctahedra, edges with ten equivalent Ni(2)Dy4Al2Ni6 cuboctahedra, faces with six equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, faces with six equivalent Al(1)Dy3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)Dy4Al2Ni6 cuboctahedra. Al(1) is bonded to three equivalent Dy(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted AlDy3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)Dy4Al2Ni6 cuboctahedra, edges with six equivalent Al(1)Dy3Ni9 cuboctahedra, faces with two equivalent Al(1)Dy3Ni9 cuboctahedra, faces with three equivalent Ni(1)Dy3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)Dy4Al2Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_DyAlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.030
_cell_length_b   5.030
_cell_length_c   3.858
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.518
_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
  Dy  Dy0  1  0.333  0.667  0.000  1.0
  Al  Al1  1  0.667  0.333  0.000  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.329  0.164  0.500  1.0
  Ni  Ni4  1  0.836  0.164  0.500  1.0
  Ni  Ni5  1  0.836  0.671  0.500  1.0
[/CIF]
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