The compound described by Hf(Ni4Al)3 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(4) atoms to form HfNi12 cuboctahedra that share corners with four equivalent Hf(1)Ni12 cuboctahedra, corners with eight equivalent Al(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Al4Ni8 cuboctahedra, edges with sixteen equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, faces with four equivalent Hf(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to four equivalent Hf(1) and eight equivalent Ni(4) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Ni(4), four equivalent Ni(5), and four equivalent Al(1) atoms to form NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Al4Ni8 cuboctahedra, corners with four equivalent Ni(3)Al4Ni8 cuboctahedra, edges with four equivalent Hf(1)Ni12 cuboctahedra, edges with four equivalent Al(2)Ni12 cuboctahedra, edges with eight equivalent Ni(5)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra,  a faceface with one Ni(3)Al4Ni8 cuboctahedra, faces with four equivalent Ni(2)Al4Ni8 cuboctahedra, faces with four equivalent Ni(5)Al4Ni8 cuboctahedra, faces with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, and faces with four equivalent Al(1)Ni12 cuboctahedra. In the third Ni site, Ni(3) is bonded to eight Ni(5,5) and four equivalent Al(2) atoms to form NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(3)Al4Ni8 cuboctahedra; corners with eight equivalent Ni(2)Al4Ni8 cuboctahedra; edges with eight equivalent Al(1)Ni12 cuboctahedra; edges with sixteen Ni(5,5)Al4Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with four equivalent Ni(3)Al4Ni8 cuboctahedra; faces with four equivalent Al(2)Ni12 cuboctahedra; and faces with eight Ni(5,5)Al4Ni8 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent Hf(1), two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(4), and two equivalent Al(1) atoms to form distorted NiHf2Al2Ni8 cuboctahedra that share corners with four equivalent Ni(5)Al4Ni8 cuboctahedra, corners with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, edges with four equivalent Hf(1)Ni12 cuboctahedra, edges with four equivalent Ni(2)Al4Ni8 cuboctahedra, edges with four equivalent Ni(5)Al4Ni8 cuboctahedra, edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, edges with four equivalent Al(1)Ni12 cuboctahedra,  a faceface with one Ni(5)Al4Ni8 cuboctahedra, faces with two equivalent Hf(1)Ni12 cuboctahedra, faces with two equivalent Ni(2)Al4Ni8 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, and faces with nine equivalent Ni(4)Hf2Al2Ni8 cuboctahedra. In the fifth Ni site, Ni(5) is bonded to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(5), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; corners with eight Ni(5,5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(2)Al4Ni8 cuboctahedra; edges with four equivalent Ni(3)Al4Ni8 cuboctahedra; edges with four equivalent Ni(5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; edges with four equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Al(2)Ni12 cuboctahedra;  a faceface with one Ni(4)Hf2Al2Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with two equivalent Ni(3)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with two equivalent Al(2)Ni12 cuboctahedra; and faces with nine Ni(5,5)Al4Ni8 cuboctahedra. In the sixth Ni site, Ni(5) is bonded to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(5), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; corners with eight Ni(5,5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(2)Al4Ni8 cuboctahedra; edges with four equivalent Ni(3)Al4Ni8 cuboctahedra; edges with four equivalent Ni(5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; edges with four equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Al(2)Ni12 cuboctahedra;  a faceface with one Ni(4)Hf2Al2Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with two equivalent Ni(3)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with two equivalent Al(2)Ni12 cuboctahedra; and faces with nine Ni(5,5)Al4Ni8 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Ni(2), four equivalent Ni(4), and four equivalent Ni(5) atoms to form AlNi12 cuboctahedra that share corners with four equivalent Hf(1)Ni12 cuboctahedra, corners with four equivalent Al(1)Ni12 cuboctahedra, corners with four equivalent Al(2)Ni12 cuboctahedra, edges with four equivalent Ni(3)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(5)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra,  a faceface with one Hf(1)Ni12 cuboctahedra,  a faceface with one Al(2)Ni12 cuboctahedra, faces with four equivalent Ni(2)Al4Ni8 cuboctahedra, faces with four equivalent Ni(5)Al4Ni8 cuboctahedra, faces with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, and faces with four equivalent Al(1)Ni12 cuboctahedra. In the second Al site, Al(2) is bonded to four equivalent Ni(3) and eight Ni(5,5) atoms to form AlNi12 cuboctahedra that share corners with four equivalent Al(2)Ni12 cuboctahedra; corners with eight equivalent Al(1)Ni12 cuboctahedra; edges with eight equivalent Ni(2)Al4Ni8 cuboctahedra; edges with sixteen Ni(5,5)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with four equivalent Ni(3)Al4Ni8 cuboctahedra; faces with four equivalent Al(2)Ni12 cuboctahedra; and faces with eight Ni(5,5)Al4Ni8 cuboctahedra. is represented by the CIF file [CIF]
data_Hf(AlNi4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.621
_cell_length_b   3.621
_cell_length_c   14.273
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.159
_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
  Hf  Hf0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.000  0.000  0.255  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.000  0.745  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.255  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.500  0.745  1.0
  Ni  Ni8  1  0.500  0.000  0.133  1.0
  Ni  Ni9  1  0.500  0.000  0.377  1.0
  Ni  Ni10  1  0.500  0.000  0.623  1.0
  Ni  Ni11  1  0.500  0.000  0.867  1.0
  Ni  Ni12  1  0.000  0.500  0.133  1.0
  Ni  Ni13  1  0.000  0.500  0.377  1.0
  Ni  Ni14  1  0.000  0.500  0.623  1.0
  Ni  Ni15  1  0.000  0.500  0.867  1.0
[/CIF]
.
The compound described by Hf(Ni4Al)3 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(4) atoms to form HfNi12 cuboctahedra that share corners with four equivalent Hf(1)Ni12 cuboctahedra, corners with eight equivalent Al(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Al4Ni8 cuboctahedra, edges with sixteen equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, faces with four equivalent Hf(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to four equivalent Hf(1) and eight equivalent Ni(4) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Ni(4), four equivalent Ni(5), and four equivalent Al(1) atoms to form NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Al4Ni8 cuboctahedra, corners with four equivalent Ni(3)Al4Ni8 cuboctahedra, edges with four equivalent Hf(1)Ni12 cuboctahedra, edges with four equivalent Al(2)Ni12 cuboctahedra, edges with eight equivalent Ni(5)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra,  a faceface with one Ni(3)Al4Ni8 cuboctahedra, faces with four equivalent Ni(2)Al4Ni8 cuboctahedra, faces with four equivalent Ni(5)Al4Ni8 cuboctahedra, faces with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, and faces with four equivalent Al(1)Ni12 cuboctahedra. In the third Ni site, Ni(3) is bonded to eight Ni(5,5) and four equivalent Al(2) atoms to form NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(3)Al4Ni8 cuboctahedra; corners with eight equivalent Ni(2)Al4Ni8 cuboctahedra; edges with eight equivalent Al(1)Ni12 cuboctahedra; edges with sixteen Ni(5,5)Al4Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with four equivalent Ni(3)Al4Ni8 cuboctahedra; faces with four equivalent Al(2)Ni12 cuboctahedra; and faces with eight Ni(5,5)Al4Ni8 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent Hf(1), two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(4), and two equivalent Al(1) atoms to form distorted NiHf2Al2Ni8 cuboctahedra that share corners with four equivalent Ni(5)Al4Ni8 cuboctahedra, corners with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, edges with four equivalent Hf(1)Ni12 cuboctahedra, edges with four equivalent Ni(2)Al4Ni8 cuboctahedra, edges with four equivalent Ni(5)Al4Ni8 cuboctahedra, edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, edges with four equivalent Al(1)Ni12 cuboctahedra,  a faceface with one Ni(5)Al4Ni8 cuboctahedra, faces with two equivalent Hf(1)Ni12 cuboctahedra, faces with two equivalent Ni(2)Al4Ni8 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, and faces with nine equivalent Ni(4)Hf2Al2Ni8 cuboctahedra. In the fifth Ni site, Ni(5) is bonded to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(5), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; corners with eight Ni(5,5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(2)Al4Ni8 cuboctahedra; edges with four equivalent Ni(3)Al4Ni8 cuboctahedra; edges with four equivalent Ni(5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; edges with four equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Al(2)Ni12 cuboctahedra;  a faceface with one Ni(4)Hf2Al2Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with two equivalent Ni(3)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with two equivalent Al(2)Ni12 cuboctahedra; and faces with nine Ni(5,5)Al4Ni8 cuboctahedra. In the sixth Ni site, Ni(5) is bonded to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(5), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; corners with eight Ni(5,5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(2)Al4Ni8 cuboctahedra; edges with four equivalent Ni(3)Al4Ni8 cuboctahedra; edges with four equivalent Ni(5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; edges with four equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Al(2)Ni12 cuboctahedra;  a faceface with one Ni(4)Hf2Al2Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with two equivalent Ni(3)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with two equivalent Al(2)Ni12 cuboctahedra; and faces with nine Ni(5,5)Al4Ni8 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Ni(2), four equivalent Ni(4), and four equivalent Ni(5) atoms to form AlNi12 cuboctahedra that share corners with four equivalent Hf(1)Ni12 cuboctahedra, corners with four equivalent Al(1)Ni12 cuboctahedra, corners with four equivalent Al(2)Ni12 cuboctahedra, edges with four equivalent Ni(3)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(5)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra,  a faceface with one Hf(1)Ni12 cuboctahedra,  a faceface with one Al(2)Ni12 cuboctahedra, faces with four equivalent Ni(2)Al4Ni8 cuboctahedra, faces with four equivalent Ni(5)Al4Ni8 cuboctahedra, faces with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, and faces with four equivalent Al(1)Ni12 cuboctahedra. In the second Al site, Al(2) is bonded to four equivalent Ni(3) and eight Ni(5,5) atoms to form AlNi12 cuboctahedra that share corners with four equivalent Al(2)Ni12 cuboctahedra; corners with eight equivalent Al(1)Ni12 cuboctahedra; edges with eight equivalent Ni(2)Al4Ni8 cuboctahedra; edges with sixteen Ni(5,5)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with four equivalent Ni(3)Al4Ni8 cuboctahedra; faces with four equivalent Al(2)Ni12 cuboctahedra; and faces with eight Ni(5,5)Al4Ni8 cuboctahedra. is represented by the CIF file [CIF]
data_Hf(AlNi4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.621
_cell_length_b   3.621
_cell_length_c   14.273
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.159
_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
  Hf  Hf0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.000  0.000  0.255  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.000  0.745  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.255  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.500  0.745  1.0
  Ni  Ni8  1  0.500  0.000  0.133  1.0
  Ni  Ni9  1  0.500  0.000  0.377  1.0
  Ni  Ni10  1  0.500  0.000  0.623  1.0
  Ni  Ni11  1  0.500  0.000  0.867  1.0
  Ni  Ni12  1  0.000  0.500  0.133  1.0
  Ni  Ni13  1  0.000  0.500  0.377  1.0
  Ni  Ni14  1  0.000  0.500  0.623  1.0
  Ni  Ni15  1  0.000  0.500  0.867  1.0
[/CIF]
.