The material described by TiAl is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. Ti(1) is bonded to six equivalent Ti(1) and six equivalent Al(1) atoms to form TiTi6Al6 cuboctahedra that share corners with eighteen equivalent Ti(1)Ti6Al6 cuboctahedra, edges with six equivalent Ti(1)Ti6Al6 cuboctahedra, edges with twelve equivalent Al(1)Ti6Al6 cuboctahedra, faces with eight equivalent Ti(1)Ti6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Ti6Al6 cuboctahedra. Al(1) is bonded to six equivalent Ti(1) and six equivalent Al(1) atoms to form AlTi6Al6 cuboctahedra that share corners with eighteen equivalent Al(1)Ti6Al6 cuboctahedra, edges with six equivalent Al(1)Ti6Al6 cuboctahedra, edges with twelve equivalent Ti(1)Ti6Al6 cuboctahedra, faces with eight equivalent Al(1)Ti6Al6 cuboctahedra, and faces with twelve equivalent Ti(1)Ti6Al6 cuboctahedra. is represented by the CIF file [CIF]
data_TiAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.867
_cell_length_b   2.867
_cell_length_c   4.678
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   33.307
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.333  0.667  0.500  1.0
[/CIF]
.
The material described by TiAl is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. Ti(1) is bonded to six equivalent Ti(1) and six equivalent Al(1) atoms to form TiTi6Al6 cuboctahedra that share corners with eighteen equivalent Ti(1)Ti6Al6 cuboctahedra, edges with six equivalent Ti(1)Ti6Al6 cuboctahedra, edges with twelve equivalent Al(1)Ti6Al6 cuboctahedra, faces with eight equivalent Ti(1)Ti6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Ti6Al6 cuboctahedra. Al(1) is bonded to six equivalent Ti(1) and six equivalent Al(1) atoms to form AlTi6Al6 cuboctahedra that share corners with eighteen equivalent Al(1)Ti6Al6 cuboctahedra, edges with six equivalent Al(1)Ti6Al6 cuboctahedra, edges with twelve equivalent Ti(1)Ti6Al6 cuboctahedra, faces with eight equivalent Al(1)Ti6Al6 cuboctahedra, and faces with twelve equivalent Ti(1)Ti6Al6 cuboctahedra. is represented by the CIF file [CIF]
data_TiAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.867
_cell_length_b   2.867
_cell_length_c   4.678
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   33.307
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.333  0.667  0.500  1.0
[/CIF]
.