The compound described by TiAlN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ti(1) is bonded to six equivalent N(1) atoms to form TiN6 octahedra that share corners with six equivalent Al(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Al(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. Al(1) is bonded to six equivalent N(1) atoms to form AlN6 octahedra that share corners with six equivalent Ti(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Al(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. N(1) is bonded to three equivalent Ti(1) and three equivalent Al(1) atoms to form a mixture of corner and edge-sharing NTi3Al3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TiAlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.191
_cell_length_c   5.191
_cell_angle_alpha   32.698
_cell_angle_beta   32.698
_cell_angle_gamma   32.698
_symmetry_Int_Tables_number   1
_cell_volume   36.308
_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  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.256  0.256  0.256  1.0
  N  N3  1  0.744  0.744  0.744  1.0
[/CIF]
.
The compound described by TiAlN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ti(1) is bonded to six equivalent N(1) atoms to form TiN6 octahedra that share corners with six equivalent Al(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Al(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. Al(1) is bonded to six equivalent N(1) atoms to form AlN6 octahedra that share corners with six equivalent Ti(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Al(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. N(1) is bonded to three equivalent Ti(1) and three equivalent Al(1) atoms to form a mixture of corner and edge-sharing NTi3Al3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TiAlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.191
_cell_length_c   5.191
_cell_angle_alpha   32.698
_cell_angle_beta   32.698
_cell_angle_gamma   32.698
_symmetry_Int_Tables_number   1
_cell_volume   36.308
_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  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.256  0.256  0.256  1.0
  N  N3  1  0.744  0.744  0.744  1.0
[/CIF]
.