The structure described by Al3NiTi2 crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1), three equivalent Ni(1), and nine equivalent Al(1) atoms. Ni(1) is bonded to six equivalent Ti(1) and six equivalent Al(1) atoms to form distorted NiTi6Al6 cuboctahedra that share corners with twelve equivalent Al(1)Ti6Al4Ni2 cuboctahedra, edges with six equivalent Ni(1)Ti6Al6 cuboctahedra, faces with two equivalent Ni(1)Ti6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Ti6Al4Ni2 cuboctahedra. Al(1) is bonded to six equivalent Ti(1), two equivalent Ni(1), and four equivalent Al(1) atoms to form distorted AlTi6Al4Ni2 cuboctahedra that share corners with four equivalent Ni(1)Ti6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Ti6Al4Ni2 cuboctahedra, edges with six equivalent Al(1)Ti6Al4Ni2 cuboctahedra, faces with six equivalent Ni(1)Ti6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Ti6Al4Ni2 cuboctahedra. is represented by the CIF card [CIF]
data_Ti2Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.122
_cell_length_b   5.123
_cell_length_c   7.844
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.996
_symmetry_Int_Tables_number   1
_cell_volume   178.257
_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  0.333  0.333  0.566  1.0
  Ti  Ti1  1  0.667  0.667  0.434  1.0
  Ti  Ti2  1  0.667  0.667  0.066  1.0
  Ti  Ti3  1  0.333  0.333  0.934  1.0
  Al  Al4  1  0.832  0.336  0.750  1.0
  Al  Al5  1  0.336  0.832  0.750  1.0
  Al  Al6  1  0.832  0.832  0.750  1.0
  Al  Al7  1  0.168  0.664  0.250  1.0
  Al  Al8  1  0.664  0.168  0.250  1.0
  Al  Al9  1  0.168  0.168  0.250  1.0
  Ni  Ni10  1  0.000  0.000  0.500  1.0
  Ni  Ni11  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Al3NiTi2 crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1), three equivalent Ni(1), and nine equivalent Al(1) atoms. Ni(1) is bonded to six equivalent Ti(1) and six equivalent Al(1) atoms to form distorted NiTi6Al6 cuboctahedra that share corners with twelve equivalent Al(1)Ti6Al4Ni2 cuboctahedra, edges with six equivalent Ni(1)Ti6Al6 cuboctahedra, faces with two equivalent Ni(1)Ti6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Ti6Al4Ni2 cuboctahedra. Al(1) is bonded to six equivalent Ti(1), two equivalent Ni(1), and four equivalent Al(1) atoms to form distorted AlTi6Al4Ni2 cuboctahedra that share corners with four equivalent Ni(1)Ti6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Ti6Al4Ni2 cuboctahedra, edges with six equivalent Al(1)Ti6Al4Ni2 cuboctahedra, faces with six equivalent Ni(1)Ti6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Ti6Al4Ni2 cuboctahedra. is represented by the CIF card [CIF]
data_Ti2Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.122
_cell_length_b   5.123
_cell_length_c   7.844
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.996
_symmetry_Int_Tables_number   1
_cell_volume   178.257
_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  0.333  0.333  0.566  1.0
  Ti  Ti1  1  0.667  0.667  0.434  1.0
  Ti  Ti2  1  0.667  0.667  0.066  1.0
  Ti  Ti3  1  0.333  0.333  0.934  1.0
  Al  Al4  1  0.832  0.336  0.750  1.0
  Al  Al5  1  0.336  0.832  0.750  1.0
  Al  Al6  1  0.832  0.832  0.750  1.0
  Al  Al7  1  0.168  0.664  0.250  1.0
  Al  Al8  1  0.664  0.168  0.250  1.0
  Al  Al9  1  0.168  0.168  0.250  1.0
  Ni  Ni10  1  0.000  0.000  0.500  1.0
  Ni  Ni11  1  0.000  0.000  0.000  1.0
[/CIF]
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