#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/43/9014343.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_9014343
loop_
_publ_author_name
'Lengauer, W.'
'Ettmayer, P.'
_publ_section_title
;
 The crystal structure of a new phase in the titanium-nitrogen system
 _cod_database_code 1100040
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              153
_journal_page_last               159
_journal_paper_doi               10.1016/0022-5088(86)90637-5
_journal_volume                  120
_journal_year                    1986
_chemical_formula_sum            'N0.583 Ti'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.9795
_cell_length_b                   2.9795
_cell_length_c                   28.96492
_cell_formula_units_Z            12
_cell_volume                     222.684
_database_code_amcsd             0018231
_exptl_crystal_density_diffrn    5.015
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ti N.583'
_cod_database_code               9014343
_amcsd_formula_title             'N2.333 Ti4'
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti1 0.00000 0.00000 0.12550 1.00000
Ti2 0.00000 0.00000 0.29100 1.00000
N1 0.00000 0.00000 0.41500 0.58300
N2 0.00000 0.00000 0.00000 0.58300
N3 0.00000 0.00000 0.50000 0.58300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018231
_cod_duplicate_entry 1101047
