#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015029.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015029
loop_
_publ_author_name
'Christensen, A.'
'Alamo, A.'
'Landesman, J.'
_publ_section_title
;
 Structure of vacancy-ordered titanium heminitride delta-Ti2 N by
 powder neutron diffraction
 _cod_database_code 1100030
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1009
_journal_page_last               1011
_journal_paper_doi               10.1107/S0108270185006370
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'N0.5 Ti'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.1493
_cell_length_b                   4.1493
_cell_length_c                   8.7858
_cell_formula_units_Z            8
_cell_volume                     151.262
_database_code_amcsd             0018226
_exptl_crystal_density_diffrn    4.820
_cod_duplicate_entry             1100030
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Ti N.5'
_cod_database_code               9015029
_amcsd_formula_title             'N Ti2'
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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018226
