data_1100041
_chemical_name_systematic          'Titanium nitride (1/0.61) - $-alpha'
_chemical_formula_structural       'Ti N0.61'
_chemical_formula_sum              'N.61 Ti'
_publ_section_title
;
Structure of Ti Nx studied by electron diffraction and microscopy
;
loop_
_publ_author_name
  'Nagakura, S'
  'Kusunoki, T'
_journal_name_full                 'Journal of Applied Crystallography'
_journal_volume                    10
_journal_year                      1977
_journal_page_first                52
_journal_page_last                 56
_cell_length_a                     4.198(2)
_cell_length_b                     4.198(2)
_cell_length_c                     8.591(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       151.4
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'I 41/a m d S'
_symmetry_Int_Tables_number        141
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,1/2+y,1/4-z'
  '-x,1/2-y,1/4-z'
  '-x,y,z'
  'x,-y,z'
  '-x,1/2+y,1/4-z'
  'x,1/2-y,1/4-z'
  'y,x,-z'
  '-y,-x,-z'
  'y,1/2+x,1/4+z'
  '-y,1/2-x,1/4+z'
  '-y,x,-z'
  'y,-x,-z'
  '-y,1/2+x,1/4+z'
  'y,1/2-x,1/4+z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,y,3/4-z'
  '1/2-x,-y,3/4-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,y,3/4-z'
  '1/2+x,-y,3/4-z'
  '1/2+y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,x,3/4+z'
  '1/2-y,-x,3/4+z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,x,3/4+z'
  '1/2+y,-x,3/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ti0    0.000
  N0     0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Ti1   Ti0    8 e 0. 0. 0.268(3) 1.  0 d
  N1    N0     4 a 0. 0. 0. 1.  0 d
  N2    N0     4 b 0. 0. 0.5 0.22  0 d