The structure described by HfTiN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded to six equivalent N(1) atoms to form HfN6 octahedra that share corners with six equivalent Ti(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Ti(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. Ti(1) is bonded to six equivalent N(1) atoms to form TiN6 octahedra that share corners with six equivalent Hf(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Ti(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Hf(1) and three equivalent Ti(1) atoms to form a mixture of edge and corner-sharing NHf3Ti3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_HfTiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.343
_cell_length_c   5.343
_cell_angle_alpha   33.932
_cell_angle_beta   33.932
_cell_angle_gamma   33.932
_symmetry_Int_Tables_number   1
_cell_volume   42.367
_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
  Hf  Hf0  1  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.248  0.248  0.248  1.0
  N  N3  1  0.752  0.752  0.752  1.0
[/CIF]
.
The structure described by HfTiN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded to six equivalent N(1) atoms to form HfN6 octahedra that share corners with six equivalent Ti(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Ti(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. Ti(1) is bonded to six equivalent N(1) atoms to form TiN6 octahedra that share corners with six equivalent Hf(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Ti(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Hf(1) and three equivalent Ti(1) atoms to form a mixture of edge and corner-sharing NHf3Ti3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_HfTiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.343
_cell_length_c   5.343
_cell_angle_alpha   33.932
_cell_angle_beta   33.932
_cell_angle_gamma   33.932
_symmetry_Int_Tables_number   1
_cell_volume   42.367
_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
  Hf  Hf0  1  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.248  0.248  0.248  1.0
  N  N3  1  0.752  0.752  0.752  1.0
[/CIF]
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