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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/2/10/68/2106857.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106857
loop_
_publ_author_name
'Choi, C.S.'
_publ_section_title
;
 Neutron diffraction study of Ba (N3)2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2638
_journal_page_last               2644
_journal_volume                  25
_journal_year                    1969
_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                 99.75
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.59
_cell_length_b                   4.39
_cell_length_c                   5.42
_cell_volume                     224.887
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Choi_ACBCAR_1969_1151.cif
_cod_data_source_block           Ba1N6
_cod_original_cell_volume        224.8867
_cod_original_formula_sum        'Ba1 N6'
_cod_database_code               2106857
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
N2 N 0.0411 0.25 0.2579 1 0.0
N1 N -0.0825 0.25 0.2263 1 0.0
N5 N -0.3921 0.25 0.6483 1 0.0
N3 N 0.1642 0.25 0.2904 1 0.0
N4 N -0.3824 0.25 0.4383 1 0.0
N6 N -0.4039 0.25 0.8611 1 0.0
Ba1 Ba+2 0.2822 0.25 -0.1709 1 0.0
