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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/7/22/27/7222769.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_7222769
loop_
_publ_author_name
'Reckeweg, O.'
'Simon, A.'
_publ_section_title
;
 Azide und Cyanamide - aehnlich und doch anders
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1097
_journal_page_last               1104
_journal_volume                  58
_journal_year                    2003
_chemical_formula_sum            'Ba N6'
_chemical_name_systematic        'Ba (N3)2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.64
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4479
_cell_length_b                   4.399
_cell_length_c                   9.6126
_cell_volume                     227.116
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Reckeweg_ZNBSEN_2003_474.cif
_cod_data_source_block           Ba1N6
_cod_original_formula_sum        'Ba1 N6'
_cod_database_code               7222769
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
N6 N 0.6389 0.75 0.9044 1 0.0
N2 N 0.2412 0.75 0.4589 1 0.0
N5 N 0.8509 0.75 0.8921 1 0.0
Ba1 Ba+2 0.32882 0.25 0.78207 1 0.0
N4 N 0.062 0.75 0.8822 1 0.0
N1 N 0.2743 0.75 0.5831 1 0.0
N3 N 0.2114 0.75 0.3358 1 0.0
