The compound described by GdNi4Al crystallizes in the hexagonal P-6m2 space group. Gd(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 Gd(1), six equivalent Ni(2), and three equivalent Al(1) atoms to form NiGd3Al3Ni6 cuboctahedra that share corners with nine equivalent Al(1)Gd3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)Gd4Al2Ni6 cuboctahedra, edges with six equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, faces with two equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, faces with three equivalent Al(1)Gd3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)Gd4Al2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Gd(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiGd4Al2Ni6 cuboctahedra that share corners with four equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, corners with four equivalent Al(1)Gd3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)Gd4Al2Ni6 cuboctahedra, edges with ten equivalent Ni(2)Gd4Al2Ni6 cuboctahedra, faces with six equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, faces with six equivalent Al(1)Gd3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)Gd4Al2Ni6 cuboctahedra. Al(1) is bonded to three equivalent Gd(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted AlGd3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)Gd4Al2Ni6 cuboctahedra, edges with six equivalent Al(1)Gd3Ni9 cuboctahedra, faces with two equivalent Al(1)Gd3Ni9 cuboctahedra, faces with three equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)Gd4Al2Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_GdAlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.000
_cell_length_b   5.000
_cell_length_c   3.781
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   81.865
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.667  0.333  0.000  1.0
  Ni  Ni2  1  0.333  0.667  0.000  1.0
  Ni  Ni3  1  0.498  0.502  0.500  1.0
  Ni  Ni4  1  0.498  0.996  0.500  1.0
  Ni  Ni5  1  0.004  0.502  0.500  1.0
[/CIF]
.
The compound described by GdNi4Al crystallizes in the hexagonal P-6m2 space group. Gd(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 Gd(1), six equivalent Ni(2), and three equivalent Al(1) atoms to form NiGd3Al3Ni6 cuboctahedra that share corners with nine equivalent Al(1)Gd3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)Gd4Al2Ni6 cuboctahedra, edges with six equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, faces with two equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, faces with three equivalent Al(1)Gd3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)Gd4Al2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Gd(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiGd4Al2Ni6 cuboctahedra that share corners with four equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, corners with four equivalent Al(1)Gd3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)Gd4Al2Ni6 cuboctahedra, edges with ten equivalent Ni(2)Gd4Al2Ni6 cuboctahedra, faces with six equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, faces with six equivalent Al(1)Gd3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)Gd4Al2Ni6 cuboctahedra. Al(1) is bonded to three equivalent Gd(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted AlGd3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)Gd4Al2Ni6 cuboctahedra, edges with six equivalent Al(1)Gd3Ni9 cuboctahedra, faces with two equivalent Al(1)Gd3Ni9 cuboctahedra, faces with three equivalent Ni(1)Gd3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)Gd4Al2Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_GdAlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.000
_cell_length_b   5.000
_cell_length_c   3.781
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   81.865
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.667  0.333  0.000  1.0
  Ni  Ni2  1  0.333  0.667  0.000  1.0
  Ni  Ni3  1  0.498  0.502  0.500  1.0
  Ni  Ni4  1  0.498  0.996  0.500  1.0
  Ni  Ni5  1  0.004  0.502  0.500  1.0
[/CIF]
.