#------------------------------------------------------------------------------
#$Date: 2015-10-13 17:33:43 +0200 (mar 13 de oct de 2015) $
#$Revision: 167268 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/86/1538607.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_1538607
loop_
_publ_author_name
'Lengauer, W.'
_publ_section_title
;
 The crystal structure of eta-Ti3 N2-x: An additional new phase in the Ti
 - N system
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              127
_journal_page_last               134
_journal_volume                  125
_journal_year                    1986
_chemical_formula_sum            'N1.29 Ti3'
_chemical_name_systematic        'Ni1.29 Ti3'
_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_formula_units_Z            3
_cell_length_a                   2.9809
_cell_length_b                   2.9809
_cell_length_c                   2.16642
_cell_volume                     16.671
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Lengauer_JCOMAH_1986_1108.cif
_cod_data_source_block           N1.29Ti3
_cod_original_cell_volume        16.67125
_cod_database_code               1538607
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ti2 Ti 0 0 0 1 0.0
Ti1 Ti 0 0 0.2222 1 0.0
N1 N 0 0 0.3889 0.43 0.0
N2 N 0 0 0.5 0.43 0.0
