The material described by PtTiAl crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 14-coordinate geometry to two equivalent Ti(1), six equivalent Pt(1), and six equivalent Al(1) atoms. Pt(1) is bonded in a 11-coordinate geometry to six equivalent Ti(1) and five equivalent Al(1) atoms. Al(1) is bonded to six equivalent Ti(1) and five equivalent Pt(1) atoms to form a mixture of distorted face and corner-sharing AlTi6Pt5 trigonal bipyramids. is represented by the CIF card [CIF]
data_TiAlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.417
_cell_length_b   4.417
_cell_length_c   5.408
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.363
_cell_formula_units_Z   2
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
  Ti  Ti1  1  0.000  0.000  0.500  1.0
  Al  Al2  1  0.333  0.667  0.250  1.0
  Al  Al3  1  0.667  0.333  0.750  1.0
  Pt  Pt4  1  0.667  0.333  0.250  1.0
  Pt  Pt5  1  0.333  0.667  0.750  1.0
[/CIF]
.
The material described by PtTiAl crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 14-coordinate geometry to two equivalent Ti(1), six equivalent Pt(1), and six equivalent Al(1) atoms. Pt(1) is bonded in a 11-coordinate geometry to six equivalent Ti(1) and five equivalent Al(1) atoms. Al(1) is bonded to six equivalent Ti(1) and five equivalent Pt(1) atoms to form a mixture of distorted face and corner-sharing AlTi6Pt5 trigonal bipyramids. is represented by the CIF card [CIF]
data_TiAlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.417
_cell_length_b   4.417
_cell_length_c   5.408
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.363
_cell_formula_units_Z   2
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
  Ti  Ti1  1  0.000  0.000  0.500  1.0
  Al  Al2  1  0.333  0.667  0.250  1.0
  Al  Al3  1  0.667  0.333  0.750  1.0
  Pt  Pt4  1  0.667  0.333  0.250  1.0
  Pt  Pt5  1  0.333  0.667  0.750  1.0
[/CIF]
.