The material described by Ti4NiAl11 is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4mm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Al(2), four equivalent Al(3), and four equivalent Al(6) atoms to form TiAl12 cuboctahedra that share corners with four equivalent Ti(1)Al12 cuboctahedra, corners with four equivalent Ti(4)Al12 cuboctahedra, corners with four equivalent Ni(1)Ti4Al8 cuboctahedra, edges with four equivalent Ti(3)Al8Ni4 cuboctahedra, edges with four equivalent Al(5)Ti4Al8 cuboctahedra, edges with eight equivalent Al(3)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(2)Ti4Al8 cuboctahedra,  a faceface with one Ti(4)Al12 cuboctahedra,  a faceface with one Ni(1)Ti4Al8 cuboctahedra, faces with four equivalent Ti(1)Al12 cuboctahedra, faces with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, faces with four equivalent Al(2)Ti4Al8 cuboctahedra, and faces with four equivalent Al(6)Ti4Al8 cuboctahedra. In the second Ti site, Ti(2) is bonded to four equivalent Al(1), four equivalent Al(4), and four equivalent Al(7) atoms to form TiAl12 cuboctahedra that share corners with four equivalent Ti(2)Al12 cuboctahedra, corners with four equivalent Ti(3)Al8Ni4 cuboctahedra, corners with four equivalent Al(5)Ti4Al8 cuboctahedra, edges with four equivalent Ti(4)Al12 cuboctahedra, edges with four equivalent Ni(1)Ti4Al8 cuboctahedra, edges with eight equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(4)Ti4Al8 cuboctahedra,  a faceface with one Ti(3)Al8Ni4 cuboctahedra,  a faceface with one Al(5)Ti4Al8 cuboctahedra, faces with four equivalent Ti(2)Al12 cuboctahedra, faces with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, faces with four equivalent Al(4)Ti4Al8 cuboctahedra, and faces with four equivalent Al(7)Ti4Al8 cuboctahedra. In the third Ti site, Ti(3) is bonded to four equivalent Ni(1), four equivalent Al(1), and four equivalent Al(3) atoms to form TiAl8Ni4 cuboctahedra that share corners with four equivalent Ti(2)Al12 cuboctahedra, corners with four equivalent Ti(3)Al8Ni4 cuboctahedra, corners with four equivalent Al(6)Ti4Al8 cuboctahedra, edges with four equivalent Ti(1)Al12 cuboctahedra, edges with four equivalent Al(7)Ti4Al8 cuboctahedra, edges with eight equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(3)Ti4Al6Ni2 cuboctahedra,  a faceface with one Ti(2)Al12 cuboctahedra,  a faceface with one Al(6)Ti4Al8 cuboctahedra, faces with four equivalent Ti(3)Al8Ni4 cuboctahedra, faces with four equivalent Ni(1)Ti4Al8 cuboctahedra, faces with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, and faces with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra. In the fourth Ti site, Ti(4) is bonded to four equivalent Al(2), four equivalent Al(4), and four equivalent Al(5) atoms to form TiAl12 cuboctahedra that share corners with four equivalent Ti(1)Al12 cuboctahedra, corners with four equivalent Ti(4)Al12 cuboctahedra, corners with four equivalent Al(7)Ti4Al8 cuboctahedra, edges with four equivalent Ti(2)Al12 cuboctahedra, edges with four equivalent Al(6)Ti4Al8 cuboctahedra, edges with eight equivalent Al(2)Ti4Al8 cuboctahedra, edges with eight equivalent Al(4)Ti4Al8 cuboctahedra,  a faceface with one Ti(1)Al12 cuboctahedra,  a faceface with one Al(7)Ti4Al8 cuboctahedra, faces with four equivalent Ti(4)Al12 cuboctahedra, faces with four equivalent Al(2)Ti4Al8 cuboctahedra, faces with four equivalent Al(4)Ti4Al8 cuboctahedra, and faces with four equivalent Al(5)Ti4Al8 cuboctahedra. Ni(1) is bonded to four equivalent Ti(3), four equivalent Al(1), and four equivalent Al(3) atoms to form NiTi4Al8 cuboctahedra that share corners with four equivalent Ti(1)Al12 cuboctahedra, corners with four equivalent Ni(1)Ti4Al8 cuboctahedra, corners with four equivalent Al(7)Ti4Al8 cuboctahedra, edges with four equivalent Ti(2)Al12 cuboctahedra, edges with four equivalent Al(6)Ti4Al8 cuboctahedra, edges with eight equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(3)Ti4Al6Ni2 cuboctahedra,  a faceface with one Ti(1)Al12 cuboctahedra,  a faceface with one Al(7)Ti4Al8 cuboctahedra, faces with four equivalent Ti(3)Al8Ni4 cuboctahedra, faces with four equivalent Ni(1)Ti4Al8 cuboctahedra, faces with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, and faces with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Ti(2), two equivalent Ti(3), two equivalent Ni(1), two equivalent Al(7), and four equivalent Al(1) atoms to form distorted AlTi4Al6Ni2 cuboctahedra that share corners with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Ti(2)Al12 cuboctahedra, edges with four equivalent Ti(3)Al8Ni4 cuboctahedra, edges with four equivalent Ni(1)Ti4Al8 cuboctahedra, edges with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, edges with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Al(7)Ti4Al8 cuboctahedra,  a faceface with one Al(3)Ti4Al6Ni2 cuboctahedra,  a faceface with one Al(4)Ti4Al8 cuboctahedra, faces with two equivalent Ti(2)Al12 cuboctahedra, faces with two equivalent Ti(3)Al8Ni4 cuboctahedra, faces with two equivalent Ni(1)Ti4Al8 cuboctahedra, faces with two equivalent Al(7)Ti4Al8 cuboctahedra, and faces with eight equivalent Al(1)Ti4Al6Ni2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Ti(1), two equivalent Ti(4), two equivalent Al(5), two equivalent Al(6), and four equivalent Al(2) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(2)Ti4Al8 cuboctahedra, corners with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Ti(1)Al12 cuboctahedra, edges with four equivalent Ti(4)Al12 cuboctahedra, edges with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, edges with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Al(5)Ti4Al8 cuboctahedra, edges with four equivalent Al(6)Ti4Al8 cuboctahedra,  a faceface with one Al(3)Ti4Al6Ni2 cuboctahedra,  a faceface with one Al(4)Ti4Al8 cuboctahedra, faces with two equivalent Ti(1)Al12 cuboctahedra, faces with two equivalent Ti(4)Al12 cuboctahedra, faces with two equivalent Al(5)Ti4Al8 cuboctahedra, faces with two equivalent Al(6)Ti4Al8 cuboctahedra, and faces with eight equivalent Al(2)Ti4Al8 cuboctahedra. In the third Al site, Al(3) is bonded to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ni(1), two equivalent Al(6), and four equivalent Al(3) atoms to form distorted AlTi4Al6Ni2 cuboctahedra that share corners with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(2)Ti4Al8 cuboctahedra, edges with four equivalent Ti(1)Al12 cuboctahedra, edges with four equivalent Ti(3)Al8Ni4 cuboctahedra, edges with four equivalent Ni(1)Ti4Al8 cuboctahedra, edges with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with four equivalent Al(2)Ti4Al8 cuboctahedra, edges with four equivalent Al(6)Ti4Al8 cuboctahedra,  a faceface with one Al(1)Ti4Al6Ni2 cuboctahedra,  a faceface with one Al(2)Ti4Al8 cuboctahedra, faces with two equivalent Ti(1)Al12 cuboctahedra, faces with two equivalent Ti(3)Al8Ni4 cuboctahedra, faces with two equivalent Ni(1)Ti4Al8 cuboctahedra, faces with two equivalent Al(6)Ti4Al8 cuboctahedra, and faces with eight equivalent Al(3)Ti4Al6Ni2 cuboctahedra. In the fourth Al site, Al(4) is bonded to two equivalent Ti(2), two equivalent Ti(4), two equivalent Al(5), two equivalent Al(7), and four equivalent Al(4) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(2)Ti4Al8 cuboctahedra, corners with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Ti(2)Al12 cuboctahedra, edges with four equivalent Ti(4)Al12 cuboctahedra, edges with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with four equivalent Al(2)Ti4Al8 cuboctahedra, edges with four equivalent Al(5)Ti4Al8 cuboctahedra, edges with four equivalent Al(7)Ti4Al8 cuboctahedra,  a faceface with one Al(1)Ti4Al6Ni2 cuboctahedra,  a faceface with one Al(2)Ti4Al8 cuboctahedra, faces with two equivalent Ti(2)Al12 cuboctahedra, faces with two equivalent Ti(4)Al12 cuboctahedra, faces with two equivalent Al(5)Ti4Al8 cuboctahedra, faces with two equivalent Al(7)Ti4Al8 cuboctahedra, and faces with eight equivalent Al(4)Ti4Al8 cuboctahedra. In the fifth Al site, Al(5) is bonded to four equivalent Ti(4), four equivalent Al(2), and four equivalent Al(4) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Ti(2)Al12 cuboctahedra, corners with four equivalent Al(5)Ti4Al8 cuboctahedra, corners with four equivalent Al(6)Ti4Al8 cuboctahedra, edges with four equivalent Ti(1)Al12 cuboctahedra, edges with four equivalent Al(7)Ti4Al8 cuboctahedra, edges with eight equivalent Al(2)Ti4Al8 cuboctahedra, edges with eight equivalent Al(4)Ti4Al8 cuboctahedra,  a faceface with one Ti(2)Al12 cuboctahedra,  a faceface with one Al(6)Ti4Al8 cuboctahedra, faces with four equivalent Ti(4)Al12 cuboctahedra, faces with four equivalent Al(2)Ti4Al8 cuboctahedra, faces with four equivalent Al(4)Ti4Al8 cuboctahedra, and faces with four equivalent Al(5)Ti4Al8 cuboctahedra. In the sixth Al site, Al(6) is bonded to four equivalent Ti(1), four equivalent Al(2), and four equivalent Al(3) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Ti(3)Al8Ni4 cuboctahedra, corners with four equivalent Al(5)Ti4Al8 cuboctahedra, corners with four equivalent Al(6)Ti4Al8 cuboctahedra, edges with four equivalent Ti(4)Al12 cuboctahedra, edges with four equivalent Ni(1)Ti4Al8 cuboctahedra, edges with eight equivalent Al(3)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(2)Ti4Al8 cuboctahedra,  a faceface with one Ti(3)Al8Ni4 cuboctahedra,  a faceface with one Al(5)Ti4Al8 cuboctahedra, faces with four equivalent Ti(1)Al12 cuboctahedra, faces with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, faces with four equivalent Al(2)Ti4Al8 cuboctahedra, and faces with four equivalent Al(6)Ti4Al8 cuboctahedra. In the seventh Al site, Al(7) is bonded to four equivalent Ti(2), four equivalent Al(1), and four equivalent Al(4) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Ti(4)Al12 cuboctahedra, corners with four equivalent Ni(1)Ti4Al8 cuboctahedra, corners with four equivalent Al(7)Ti4Al8 cuboctahedra, edges with four equivalent Ti(3)Al8Ni4 cuboctahedra, edges with four equivalent Al(5)Ti4Al8 cuboctahedra, edges with eight equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(4)Ti4Al8 cuboctahedra,  a faceface with one Ti(4)Al12 cuboctahedra,  a faceface with one Ni(1)Ti4Al8 cuboctahedra, faces with four equivalent Ti(2)Al12 cuboctahedra, faces with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, faces with four equivalent Al(4)Ti4Al8 cuboctahedra, and faces with four equivalent Al(7)Ti4Al8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4Al11Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.901
_cell_length_b   3.901
_cell_length_c   16.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.799
_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
  Ti  Ti0  1  0.500  0.500  0.381  1.0
  Ti  Ti1  1  0.000  0.000  0.887  1.0
  Ti  Ti2  1  0.000  0.000  0.120  1.0
  Ti  Ti3  1  0.500  0.500  0.619  1.0
  Al  Al4  1  0.500  0.000  0.009  1.0
  Al  Al5  1  0.000  0.500  0.499  1.0
  Al  Al6  1  0.000  0.500  0.009  1.0
  Al  Al7  1  0.500  0.000  0.499  1.0
  Al  Al8  1  0.000  0.500  0.240  1.0
  Al  Al9  1  0.500  0.000  0.753  1.0
  Al  Al10  1  0.500  0.000  0.240  1.0
  Al  Al11  1  0.000  0.500  0.753  1.0
  Al  Al12  1  0.000  0.000  0.625  1.0
  Al  Al13  1  0.000  0.000  0.367  1.0
  Al  Al14  1  0.500  0.500  0.879  1.0
  Ni  Ni15  1  0.500  0.500  0.122  1.0
[/CIF]
.
The material described by Ti4NiAl11 is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4mm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Al(2), four equivalent Al(3), and four equivalent Al(6) atoms to form TiAl12 cuboctahedra that share corners with four equivalent Ti(1)Al12 cuboctahedra, corners with four equivalent Ti(4)Al12 cuboctahedra, corners with four equivalent Ni(1)Ti4Al8 cuboctahedra, edges with four equivalent Ti(3)Al8Ni4 cuboctahedra, edges with four equivalent Al(5)Ti4Al8 cuboctahedra, edges with eight equivalent Al(3)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(2)Ti4Al8 cuboctahedra,  a faceface with one Ti(4)Al12 cuboctahedra,  a faceface with one Ni(1)Ti4Al8 cuboctahedra, faces with four equivalent Ti(1)Al12 cuboctahedra, faces with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, faces with four equivalent Al(2)Ti4Al8 cuboctahedra, and faces with four equivalent Al(6)Ti4Al8 cuboctahedra. In the second Ti site, Ti(2) is bonded to four equivalent Al(1), four equivalent Al(4), and four equivalent Al(7) atoms to form TiAl12 cuboctahedra that share corners with four equivalent Ti(2)Al12 cuboctahedra, corners with four equivalent Ti(3)Al8Ni4 cuboctahedra, corners with four equivalent Al(5)Ti4Al8 cuboctahedra, edges with four equivalent Ti(4)Al12 cuboctahedra, edges with four equivalent Ni(1)Ti4Al8 cuboctahedra, edges with eight equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(4)Ti4Al8 cuboctahedra,  a faceface with one Ti(3)Al8Ni4 cuboctahedra,  a faceface with one Al(5)Ti4Al8 cuboctahedra, faces with four equivalent Ti(2)Al12 cuboctahedra, faces with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, faces with four equivalent Al(4)Ti4Al8 cuboctahedra, and faces with four equivalent Al(7)Ti4Al8 cuboctahedra. In the third Ti site, Ti(3) is bonded to four equivalent Ni(1), four equivalent Al(1), and four equivalent Al(3) atoms to form TiAl8Ni4 cuboctahedra that share corners with four equivalent Ti(2)Al12 cuboctahedra, corners with four equivalent Ti(3)Al8Ni4 cuboctahedra, corners with four equivalent Al(6)Ti4Al8 cuboctahedra, edges with four equivalent Ti(1)Al12 cuboctahedra, edges with four equivalent Al(7)Ti4Al8 cuboctahedra, edges with eight equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(3)Ti4Al6Ni2 cuboctahedra,  a faceface with one Ti(2)Al12 cuboctahedra,  a faceface with one Al(6)Ti4Al8 cuboctahedra, faces with four equivalent Ti(3)Al8Ni4 cuboctahedra, faces with four equivalent Ni(1)Ti4Al8 cuboctahedra, faces with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, and faces with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra. In the fourth Ti site, Ti(4) is bonded to four equivalent Al(2), four equivalent Al(4), and four equivalent Al(5) atoms to form TiAl12 cuboctahedra that share corners with four equivalent Ti(1)Al12 cuboctahedra, corners with four equivalent Ti(4)Al12 cuboctahedra, corners with four equivalent Al(7)Ti4Al8 cuboctahedra, edges with four equivalent Ti(2)Al12 cuboctahedra, edges with four equivalent Al(6)Ti4Al8 cuboctahedra, edges with eight equivalent Al(2)Ti4Al8 cuboctahedra, edges with eight equivalent Al(4)Ti4Al8 cuboctahedra,  a faceface with one Ti(1)Al12 cuboctahedra,  a faceface with one Al(7)Ti4Al8 cuboctahedra, faces with four equivalent Ti(4)Al12 cuboctahedra, faces with four equivalent Al(2)Ti4Al8 cuboctahedra, faces with four equivalent Al(4)Ti4Al8 cuboctahedra, and faces with four equivalent Al(5)Ti4Al8 cuboctahedra. Ni(1) is bonded to four equivalent Ti(3), four equivalent Al(1), and four equivalent Al(3) atoms to form NiTi4Al8 cuboctahedra that share corners with four equivalent Ti(1)Al12 cuboctahedra, corners with four equivalent Ni(1)Ti4Al8 cuboctahedra, corners with four equivalent Al(7)Ti4Al8 cuboctahedra, edges with four equivalent Ti(2)Al12 cuboctahedra, edges with four equivalent Al(6)Ti4Al8 cuboctahedra, edges with eight equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(3)Ti4Al6Ni2 cuboctahedra,  a faceface with one Ti(1)Al12 cuboctahedra,  a faceface with one Al(7)Ti4Al8 cuboctahedra, faces with four equivalent Ti(3)Al8Ni4 cuboctahedra, faces with four equivalent Ni(1)Ti4Al8 cuboctahedra, faces with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, and faces with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Ti(2), two equivalent Ti(3), two equivalent Ni(1), two equivalent Al(7), and four equivalent Al(1) atoms to form distorted AlTi4Al6Ni2 cuboctahedra that share corners with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Ti(2)Al12 cuboctahedra, edges with four equivalent Ti(3)Al8Ni4 cuboctahedra, edges with four equivalent Ni(1)Ti4Al8 cuboctahedra, edges with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, edges with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Al(7)Ti4Al8 cuboctahedra,  a faceface with one Al(3)Ti4Al6Ni2 cuboctahedra,  a faceface with one Al(4)Ti4Al8 cuboctahedra, faces with two equivalent Ti(2)Al12 cuboctahedra, faces with two equivalent Ti(3)Al8Ni4 cuboctahedra, faces with two equivalent Ni(1)Ti4Al8 cuboctahedra, faces with two equivalent Al(7)Ti4Al8 cuboctahedra, and faces with eight equivalent Al(1)Ti4Al6Ni2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Ti(1), two equivalent Ti(4), two equivalent Al(5), two equivalent Al(6), and four equivalent Al(2) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(2)Ti4Al8 cuboctahedra, corners with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Ti(1)Al12 cuboctahedra, edges with four equivalent Ti(4)Al12 cuboctahedra, edges with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, edges with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Al(5)Ti4Al8 cuboctahedra, edges with four equivalent Al(6)Ti4Al8 cuboctahedra,  a faceface with one Al(3)Ti4Al6Ni2 cuboctahedra,  a faceface with one Al(4)Ti4Al8 cuboctahedra, faces with two equivalent Ti(1)Al12 cuboctahedra, faces with two equivalent Ti(4)Al12 cuboctahedra, faces with two equivalent Al(5)Ti4Al8 cuboctahedra, faces with two equivalent Al(6)Ti4Al8 cuboctahedra, and faces with eight equivalent Al(2)Ti4Al8 cuboctahedra. In the third Al site, Al(3) is bonded to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ni(1), two equivalent Al(6), and four equivalent Al(3) atoms to form distorted AlTi4Al6Ni2 cuboctahedra that share corners with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(2)Ti4Al8 cuboctahedra, edges with four equivalent Ti(1)Al12 cuboctahedra, edges with four equivalent Ti(3)Al8Ni4 cuboctahedra, edges with four equivalent Ni(1)Ti4Al8 cuboctahedra, edges with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with four equivalent Al(2)Ti4Al8 cuboctahedra, edges with four equivalent Al(6)Ti4Al8 cuboctahedra,  a faceface with one Al(1)Ti4Al6Ni2 cuboctahedra,  a faceface with one Al(2)Ti4Al8 cuboctahedra, faces with two equivalent Ti(1)Al12 cuboctahedra, faces with two equivalent Ti(3)Al8Ni4 cuboctahedra, faces with two equivalent Ni(1)Ti4Al8 cuboctahedra, faces with two equivalent Al(6)Ti4Al8 cuboctahedra, and faces with eight equivalent Al(3)Ti4Al6Ni2 cuboctahedra. In the fourth Al site, Al(4) is bonded to two equivalent Ti(2), two equivalent Ti(4), two equivalent Al(5), two equivalent Al(7), and four equivalent Al(4) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, corners with four equivalent Al(2)Ti4Al8 cuboctahedra, corners with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Ti(2)Al12 cuboctahedra, edges with four equivalent Ti(4)Al12 cuboctahedra, edges with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with four equivalent Al(2)Ti4Al8 cuboctahedra, edges with four equivalent Al(5)Ti4Al8 cuboctahedra, edges with four equivalent Al(7)Ti4Al8 cuboctahedra,  a faceface with one Al(1)Ti4Al6Ni2 cuboctahedra,  a faceface with one Al(2)Ti4Al8 cuboctahedra, faces with two equivalent Ti(2)Al12 cuboctahedra, faces with two equivalent Ti(4)Al12 cuboctahedra, faces with two equivalent Al(5)Ti4Al8 cuboctahedra, faces with two equivalent Al(7)Ti4Al8 cuboctahedra, and faces with eight equivalent Al(4)Ti4Al8 cuboctahedra. In the fifth Al site, Al(5) is bonded to four equivalent Ti(4), four equivalent Al(2), and four equivalent Al(4) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Ti(2)Al12 cuboctahedra, corners with four equivalent Al(5)Ti4Al8 cuboctahedra, corners with four equivalent Al(6)Ti4Al8 cuboctahedra, edges with four equivalent Ti(1)Al12 cuboctahedra, edges with four equivalent Al(7)Ti4Al8 cuboctahedra, edges with eight equivalent Al(2)Ti4Al8 cuboctahedra, edges with eight equivalent Al(4)Ti4Al8 cuboctahedra,  a faceface with one Ti(2)Al12 cuboctahedra,  a faceface with one Al(6)Ti4Al8 cuboctahedra, faces with four equivalent Ti(4)Al12 cuboctahedra, faces with four equivalent Al(2)Ti4Al8 cuboctahedra, faces with four equivalent Al(4)Ti4Al8 cuboctahedra, and faces with four equivalent Al(5)Ti4Al8 cuboctahedra. In the sixth Al site, Al(6) is bonded to four equivalent Ti(1), four equivalent Al(2), and four equivalent Al(3) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Ti(3)Al8Ni4 cuboctahedra, corners with four equivalent Al(5)Ti4Al8 cuboctahedra, corners with four equivalent Al(6)Ti4Al8 cuboctahedra, edges with four equivalent Ti(4)Al12 cuboctahedra, edges with four equivalent Ni(1)Ti4Al8 cuboctahedra, edges with eight equivalent Al(3)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(2)Ti4Al8 cuboctahedra,  a faceface with one Ti(3)Al8Ni4 cuboctahedra,  a faceface with one Al(5)Ti4Al8 cuboctahedra, faces with four equivalent Ti(1)Al12 cuboctahedra, faces with four equivalent Al(3)Ti4Al6Ni2 cuboctahedra, faces with four equivalent Al(2)Ti4Al8 cuboctahedra, and faces with four equivalent Al(6)Ti4Al8 cuboctahedra. In the seventh Al site, Al(7) is bonded to four equivalent Ti(2), four equivalent Al(1), and four equivalent Al(4) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Ti(4)Al12 cuboctahedra, corners with four equivalent Ni(1)Ti4Al8 cuboctahedra, corners with four equivalent Al(7)Ti4Al8 cuboctahedra, edges with four equivalent Ti(3)Al8Ni4 cuboctahedra, edges with four equivalent Al(5)Ti4Al8 cuboctahedra, edges with eight equivalent Al(1)Ti4Al6Ni2 cuboctahedra, edges with eight equivalent Al(4)Ti4Al8 cuboctahedra,  a faceface with one Ti(4)Al12 cuboctahedra,  a faceface with one Ni(1)Ti4Al8 cuboctahedra, faces with four equivalent Ti(2)Al12 cuboctahedra, faces with four equivalent Al(1)Ti4Al6Ni2 cuboctahedra, faces with four equivalent Al(4)Ti4Al8 cuboctahedra, and faces with four equivalent Al(7)Ti4Al8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4Al11Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.901
_cell_length_b   3.901
_cell_length_c   16.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.799
_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
  Ti  Ti0  1  0.500  0.500  0.381  1.0
  Ti  Ti1  1  0.000  0.000  0.887  1.0
  Ti  Ti2  1  0.000  0.000  0.120  1.0
  Ti  Ti3  1  0.500  0.500  0.619  1.0
  Al  Al4  1  0.500  0.000  0.009  1.0
  Al  Al5  1  0.000  0.500  0.499  1.0
  Al  Al6  1  0.000  0.500  0.009  1.0
  Al  Al7  1  0.500  0.000  0.499  1.0
  Al  Al8  1  0.000  0.500  0.240  1.0
  Al  Al9  1  0.500  0.000  0.753  1.0
  Al  Al10  1  0.500  0.000  0.240  1.0
  Al  Al11  1  0.000  0.500  0.753  1.0
  Al  Al12  1  0.000  0.000  0.625  1.0
  Al  Al13  1  0.000  0.000  0.367  1.0
  Al  Al14  1  0.500  0.500  0.879  1.0
  Ni  Ni15  1  0.500  0.500  0.122  1.0
[/CIF]
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