The material structure described by TiCrN2 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 Cr(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Cr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. Cr(1) is bonded to six equivalent N(1) atoms to form CrN6 octahedra that share corners with six equivalent Ti(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Cr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Ti(1) and three equivalent Cr(1) atoms to form a mixture of edge and corner-sharing NTi3Cr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.005
_cell_length_b   3.005
_cell_length_c   5.031
_cell_angle_alpha   72.621
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   36.938
_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  0.000  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.252  0.504  0.244  1.0
  N  N3  1  0.748  0.496  0.756  1.0
[/CIF]
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The material structure described by TiCrN2 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 Cr(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Cr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. Cr(1) is bonded to six equivalent N(1) atoms to form CrN6 octahedra that share corners with six equivalent Ti(1)N6 octahedra, edges with six equivalent Ti(1)N6 octahedra, and edges with six equivalent Cr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Ti(1) and three equivalent Cr(1) atoms to form a mixture of edge and corner-sharing NTi3Cr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.005
_cell_length_b   3.005
_cell_length_c   5.031
_cell_angle_alpha   72.621
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   36.938
_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  0.000  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.252  0.504  0.244  1.0
  N  N3  1  0.748  0.496  0.756  1.0
[/CIF]
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