#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/74/1537489.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_1537489
loop_
_publ_author_name
'Juza, R.'
'Heners, J.'
_publ_section_title
;
 Ueber Nitridhalogenide des Titans und Zirkons
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              159
_journal_page_last               172
_journal_volume                  332
_journal_year                    1964
_chemical_formula_sum            'Br N Ti'
_chemical_name_systematic        'Ti N Br'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.927
_cell_length_b                   3.349
_cell_length_c                   8.332
_cell_volume                     109.578
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Juza_ZAACAB_1964_1843.cif
_cod_data_source_block           Br1N1Ti1
_cod_original_cell_volume        109.5785
_cod_original_sg_symbol_Hall     '-P 2ab 2a (x-1/4,y-1/4,z)'
_cod_original_formula_sum        'Br1 N1 Ti1'
_cod_database_code               1537489
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x,y,z
x,-y,z
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
Ti1 Ti+4 0 0.5 0.08 1 0.0
N1 N-3 0 0 0.95 1 0.0
Br1 Br-1 0 0 0.33 1 0.0
