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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/14/1521498.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_1521498
loop_
_publ_author_name
'Leineweber, A.'
'Jacobs, H.'
_publ_section_title
;
 Preparation and crystal structures of Ni (N H3)2 Cl2 and of two
 modifications of Ni (N H3)2 Br2 and Ni (N H3)2 I2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              381
_journal_page_last               387
_journal_volume                  152
_journal_year                    2000
_chemical_formula_sum            'Br2 H6 N2 Ni'
_chemical_name_systematic        '(Ni (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                   5.865
_cell_length_b                   11.723
_cell_length_c                   3.856
_cell_volume                     265.121
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Leineweber_JSSCBI_2000_1905.cif
_cod_data_source_block           H6Br2N2Ni1
_cod_original_cell_volume        265.1208
_cod_original_formula_sum        'H6 Br2 N2 Ni1'
_cod_database_code               1521498
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
Ni1 Ni+2 0 0 0 1 0.0
Br1 Br-1 0.281 0.38925 0.5 1 0.0
H2 H+1 0.225 0.177 0.143 0.75 0.0
H1 H+1 0.355 0.109 0.143 0.75 0.0
N1 N-3 0.2479 0.1226 0 1 0.0
