The crystal structure described by Ti3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. Ti(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent N(1) atoms. N(1) is bonded to six equivalent Ti(1) atoms to form a mixture of edge, corner, and face-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.665
_cell_length_b   5.665
_cell_length_c   5.665
_cell_angle_alpha   54.435
_cell_angle_beta   54.435
_cell_angle_gamma   54.435
_symmetry_Int_Tables_number   1
_cell_volume   111.861
_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  0.573  0.927  0.250  1.0
  Ti  Ti1  1  0.250  0.573  0.927  1.0
  Ti  Ti2  1  0.927  0.250  0.573  1.0
  Ti  Ti3  1  0.073  0.750  0.427  1.0
  Ti  Ti4  1  0.750  0.427  0.073  1.0
  Ti  Ti5  1  0.427  0.073  0.750  1.0
  N  N6  1  0.841  0.841  0.841  1.0
  N  N7  1  0.659  0.659  0.659  1.0
  N  N8  1  0.341  0.341  0.341  1.0
  N  N9  1  0.159  0.159  0.159  1.0
[/CIF]
.
The crystal structure described by Ti3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. Ti(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent N(1) atoms. N(1) is bonded to six equivalent Ti(1) atoms to form a mixture of edge, corner, and face-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.665
_cell_length_b   5.665
_cell_length_c   5.665
_cell_angle_alpha   54.435
_cell_angle_beta   54.435
_cell_angle_gamma   54.435
_symmetry_Int_Tables_number   1
_cell_volume   111.861
_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  0.573  0.927  0.250  1.0
  Ti  Ti1  1  0.250  0.573  0.927  1.0
  Ti  Ti2  1  0.927  0.250  0.573  1.0
  Ti  Ti3  1  0.073  0.750  0.427  1.0
  Ti  Ti4  1  0.750  0.427  0.073  1.0
  Ti  Ti5  1  0.427  0.073  0.750  1.0
  N  N6  1  0.841  0.841  0.841  1.0
  N  N7  1  0.659  0.659  0.659  1.0
  N  N8  1  0.341  0.341  0.341  1.0
  N  N9  1  0.159  0.159  0.159  1.0
[/CIF]
.