#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/55/1535503.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_1535503
loop_
_publ_author_name
'Bremm, S.'
'Meyer, G.'
_publ_section_title
;
 Reactivity of ammonium halides: action of ammonium chloride and bromide
 on iron and iron(III) chloride and bromide
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1875
_journal_page_last               1880
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Br2 Fe H6 N2'
_chemical_name_systematic        '(Fe (N H3)2) Br2'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.872
_cell_length_b                   5.9206
_cell_length_c                   3.9911
_cell_volume                     280.532
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bremm_ZAACAB_2003_910.cif
_cod_data_source_block           H6Br2Fe1N2
_cod_original_cell_volume        280.5319
_cod_original_formula_sum        'H6 Br2 Fe1 N2'
_cod_database_code               1535503
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,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,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
Fe1 Fe+2 0 0.5 0 1 0.0
N1 N-3 -0.1264 0.2425 0 1 0.0
Br1 Br-1 0.11285 0.279 0.5 1 0.0
