The crystal structure described by Al3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Ti(1) is bonded to twelve equivalent Al(1) atoms to form TiAl12 cuboctahedra that share corners with twelve equivalent Ti(1)Al12 cuboctahedra, edges with twenty-four equivalent Al(1)Ti4Al8 cuboctahedra, faces with six equivalent Ti(1)Al12 cuboctahedra, and faces with twelve equivalent Al(1)Ti4Al8 cuboctahedra. Al(1) is bonded to four equivalent Ti(1) and eight equivalent Al(1) atoms to form AlTi4Al8 cuboctahedra that share corners with twelve equivalent Al(1)Ti4Al8 cuboctahedra, edges with eight equivalent Ti(1)Al12 cuboctahedra, edges with sixteen equivalent Al(1)Ti4Al8 cuboctahedra, faces with four equivalent Ti(1)Al12 cuboctahedra, and faces with fourteen equivalent Al(1)Ti4Al8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.956
_cell_length_b   3.956
_cell_length_c   3.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.896
_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  0.500  0.500  0.000  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Al3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Ti(1) is bonded to twelve equivalent Al(1) atoms to form TiAl12 cuboctahedra that share corners with twelve equivalent Ti(1)Al12 cuboctahedra, edges with twenty-four equivalent Al(1)Ti4Al8 cuboctahedra, faces with six equivalent Ti(1)Al12 cuboctahedra, and faces with twelve equivalent Al(1)Ti4Al8 cuboctahedra. Al(1) is bonded to four equivalent Ti(1) and eight equivalent Al(1) atoms to form AlTi4Al8 cuboctahedra that share corners with twelve equivalent Al(1)Ti4Al8 cuboctahedra, edges with eight equivalent Ti(1)Al12 cuboctahedra, edges with sixteen equivalent Al(1)Ti4Al8 cuboctahedra, faces with four equivalent Ti(1)Al12 cuboctahedra, and faces with fourteen equivalent Al(1)Ti4Al8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.956
_cell_length_b   3.956
_cell_length_c   3.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.896
_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  0.500  0.500  0.000  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.500  1.0
[/CIF]
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