#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/50/1535020.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_1535020
loop_
_publ_author_name
'Harada, M.'
_publ_section_title
;
 Room-temperature structure of K2 Ba (N O2)4
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              3448
_journal_page_last               3453
_journal_volume                  52
_journal_year                    1983
_chemical_formula_sum            'Ba K2 N4 O8'
_chemical_name_systematic        'K2 Ba (N O2)4'
_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                   6.604
_cell_length_b                   11.427
_cell_length_c                   6.161
_cell_volume                     464.933
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Harada_JUPSAU_1983_677.cif
_cod_data_source_block           Ba1K2N4O8
_cod_original_cell_volume        464.9331
_cod_original_formula_sum        'Ba1 K2 N4 O8'
_cod_database_code               1535020
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
O2 O-2 -0.11662 0.0569 0.5605 0.5 0.0
O3 O-2 0.4403 -0.0036 0.1742 0.5 0.0
N1 N+3 0.2506 0.2666 0 1 0.0
N2 N+3 0 0 0.4466 0.5 0.0
Ba1 Ba+2 0 0 0 1 0.0
N3 N+3 0.5408 -0.0033 0 0.5 0.0
O1 O-2 0.1984 0.2145 0.1723 1 0.0
K1 K+1 -0.0145 0.334 0.5 1 0.0
