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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/8/10/36/8103675.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_8103675
loop_
_publ_author_name
'Walitzi, E.M.'
'Krischner, H.'
_publ_section_title
;
 Die Kristallstruktur von Bariumazidmonohydrat, Ba (N3)2 H2 O
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              368
_journal_page_last               379
_journal_volume                  137
_journal_year                    1973
_chemical_formula_sum            'Ba H2 N6 O'
_chemical_name_systematic        'Ba (N3)2 H2 O'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.29
_cell_length_b                   10.84
_cell_length_c                   6.96
_cell_volume                     532.001
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Walitzi_ZEKGAX_1973_1317.cif
_cod_data_source_block           H2Ba1N6O1
_cod_original_cell_volume        532.0014
_cod_original_formula_sum        'H2 Ba1 N6 O1'
_cod_database_code               8103675
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,z+1/2
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
Ba1 Ba+2 0.0044 0.3442 0.2563 1 0.0
N3 N 0.385 0.255 0.341 1 0.0
N6 N 0.273 0.014 0.983 1 0.0
N1 N 0 0.245 0.751 1 0.0
O1 O-2 0.218 0.466 0.996 1 0.0
N2 N 0.115 0.245 0.66 1 0.0
N5 N 0.007 0.072 0.258 1 0.0
N4 N 0.14 0.029 0.373 1 0.0
