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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1101047.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1101047
_journal_name_full                 'Zeitschrift fuer Physik'
_journal_volume                    31
_journal_year                      1925
_journal_page_first                268
_journal_page_last                 272
_publ_section_title
;
Die Kristallstrukturen einiger binaerer Carbide und Nitride.
;
loop_
_publ_author_name
  'Becker, K'
  'Ebert, F'
_chemical_name_systematic          'Titanium(III) nitride'
_chemical_name_mineral             'Osbornite'
_journal_volume                    29
_journal_year                      1975
_journal_page_first                563
_journal_page_last                 568
_publ_section_title
;
A neutron diffraction investigation of single crystals of titanium
carbide, titanium nitride, and zirconium nitride.
;
_publ_author_name                  'Christensen, A N'
_chemical_name_systematic          'Titanium nitride (0.76/1)'
_chemical_name_mineral             'Osbornite'
loop_
_publ_author_name
  'Lengauer, W'
  'Ettmayer, P'
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '2/3-y,1/3-x,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '2/3+x-y,1/3-y,1/3-z'
_cell_length_a                     2.9795
_cell_length_b                     2.9795
_cell_length_c                     28.96492
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       227.8
_cell_formula_units_Z              3
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    6 c 0. 0. 0.1255 1.  0 d
  Ti2   Ti0    6 c 0. 0. 0.291 1.  0 d
  N1    N0     6 c 0. 0. 0.415 0.583  0 d
  N2    N0     3 a 0. 0. 0. 0.583  0 d
  N3    N0     3 b 0. 0. 0.5 0.583  0 d
_refine_ls_R_factor_all            0.092