The compound described by TbNi4Al crystallizes in the hexagonal P-6m2 space group. Tb(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 Tb(1), six equivalent Ni(2), and three equivalent Al(1) atoms to form NiTb3Al3Ni6 cuboctahedra that share corners with nine equivalent Al(1)Tb3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, edges with six equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, faces with two equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, faces with three equivalent Al(1)Tb3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)Tb4Al2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Tb(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiTb4Al2Ni6 cuboctahedra that share corners with four equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, corners with four equivalent Al(1)Tb3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, edges with ten equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, faces with six equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, faces with six equivalent Al(1)Tb3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)Tb4Al2Ni6 cuboctahedra. Al(1) is bonded to three equivalent Tb(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted AlTb3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, edges with six equivalent Al(1)Tb3Ni9 cuboctahedra, faces with two equivalent Al(1)Tb3Ni9 cuboctahedra, faces with three equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)Tb4Al2Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbAlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.042
_cell_length_b   5.042
_cell_length_c   3.850
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.751
_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
  Tb  Tb0  1  0.667  0.333  0.000  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.333  0.667  0.000  1.0
  Ni  Ni3  1  0.663  0.831  0.500  1.0
  Ni  Ni4  1  0.169  0.831  0.500  1.0
  Ni  Ni5  1  0.169  0.337  0.500  1.0
[/CIF]
.
The compound described by TbNi4Al crystallizes in the hexagonal P-6m2 space group. Tb(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 Tb(1), six equivalent Ni(2), and three equivalent Al(1) atoms to form NiTb3Al3Ni6 cuboctahedra that share corners with nine equivalent Al(1)Tb3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, edges with six equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, faces with two equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, faces with three equivalent Al(1)Tb3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)Tb4Al2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Tb(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiTb4Al2Ni6 cuboctahedra that share corners with four equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, corners with four equivalent Al(1)Tb3Ni9 cuboctahedra, corners with sixteen equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, edges with ten equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, faces with six equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, faces with six equivalent Al(1)Tb3Ni9 cuboctahedra, and faces with ten equivalent Ni(2)Tb4Al2Ni6 cuboctahedra. Al(1) is bonded to three equivalent Tb(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted AlTb3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, edges with six equivalent Al(1)Tb3Ni9 cuboctahedra, faces with two equivalent Al(1)Tb3Ni9 cuboctahedra, faces with three equivalent Ni(1)Tb3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)Tb4Al2Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbAlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.042
_cell_length_b   5.042
_cell_length_c   3.850
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.751
_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
  Tb  Tb0  1  0.667  0.333  0.000  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.333  0.667  0.000  1.0
  Ni  Ni3  1  0.663  0.831  0.500  1.0
  Ni  Ni4  1  0.169  0.831  0.500  1.0
  Ni  Ni5  1  0.169  0.337  0.500  1.0
[/CIF]
.