data_global
_amcsd_formula_title 'N Ti2'
loop_
_publ_author_name
'Christensen A'
'Alamo A'
'Landesman J'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 41 
_journal_year 1985
_journal_page_first 1009
_journal_page_last 1011
_publ_section_title
;
 Structure of vacancy-ordered titanium heminitride delta-Ti2 N by
 powder neutron diffraction
 _cod_database_code 1100030
;
_database_code_amcsd 0018226
_chemical_formula_sum 'Ti N.5'
_cell_length_a 4.1493
_cell_length_b 4.1493
_cell_length_c 8.7858
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 151.262
_exptl_crystal_density_diffrn      4.820
_symmetry_space_group_name_H-M 'I 41/a m d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/4-y,3/4-x,1/4+z'
  '3/4-y,1/4-x,3/4+z'
  '1/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/2+x,-y,1/2+z'
  '+x,1/2-y,+z'
  '1/2-x,y,1/2-z'
  '-x,1/2+y,-z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '1/4+y,1/4+x,3/4+z'
  '3/4+y,3/4+x,1/4+z'
  '1/4-y,1/4-x,3/4-z'
  '3/4-y,3/4-x,1/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-y,3/4+x,1/4-z'
  '1/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti1   0.00000   0.75000   0.88900   1.00000
N1   0.00000   0.75000   0.12500   0.93200
N2   0.00000   0.75000   0.62500   0.06800