The compound described by Ti2N is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Ti(1) is bonded in a distorted T-shaped geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Ti(1) atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 47°. is represented by the CIF file [CIF]
data_Ti2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.030
_cell_length_b   4.942
_cell_length_c   4.942
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   74.005
_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  0.500  0.797  0.203  1.0
  Ti  Ti1  1  0.000  0.703  0.703  1.0
  Ti  Ti2  1  0.500  0.203  0.797  1.0
  Ti  Ti3  1  0.000  0.297  0.297  1.0
  N  N4  1  0.500  0.500  0.500  1.0
  N  N5  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ti2N is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Ti(1) is bonded in a distorted T-shaped geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Ti(1) atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 47°. is represented by the CIF file [CIF]
data_Ti2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.030
_cell_length_b   4.942
_cell_length_c   4.942
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   74.005
_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  0.500  0.797  0.203  1.0
  Ti  Ti1  1  0.000  0.703  0.703  1.0
  Ti  Ti2  1  0.500  0.203  0.797  1.0
  Ti  Ti3  1  0.000  0.297  0.297  1.0
  N  N4  1  0.500  0.500  0.500  1.0
  N  N5  1  0.000  0.000  0.000  1.0
[/CIF]
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