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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/47/1534796.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_1534796
loop_
_publ_author_name
'Gudat, A.'
'Haag, S.'
'Kniep, R.'
'Rabenau, A.'
_publ_section_title
;
 On the crystal structure of Ba Ni N, a low valency nitridoniccolate(I)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              29
_journal_page_last               31
_journal_volume                  159
_journal_year                    1990
_chemical_formula_sum            'Ba N Ni'
_chemical_name_systematic        'Ba (Ni N)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   9.639
_cell_length_b                   13.674
_cell_length_c                   5.432
_cell_volume                     715.958
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Gudat_JCOMAH_1990_1755.cif
_cod_data_source_block           Ba1N1Ni1
_cod_original_cell_volume        715.9576
_cod_original_formula_sum        'Ba1 N1 Ni1'
_cod_database_code               1534796
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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+1 0.1479 0.1613 0.446 1 0.0
N2 N-3 0.2241 0.25 0.6584 1 0.0
N1 N-3 0.0759 0.0773 0.2268 1 0.0
Ba2 Ba+2 0.4974 0.25 0.5175 1 0.0
Ba1 Ba+2 0.3281 0.088 -0.0263 1 0.0
Ni2 Ni+1 0 0 0 1 0.0
