#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/39/1533939.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_1533939
loop_
_publ_author_name
'Kirpichnikova, L.F.'
'Shakhmatov, V.S.'
'Pietraszko, A.'
_publ_section_title
;
 High-temperature phase transition in ferroelastic K2 Ba (N O2)4
;
_journal_name_full               Kristallografiya
_journal_page_first              1100
_journal_page_last               1104
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'Ba K2 N4 O8'
_chemical_name_systematic        'K2 Ba (N O2)4'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.6677
_cell_length_b                   6.6677
_cell_length_c                   6.137
_cell_volume                     236.286
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Kirpichnikova_KRISAJ_2002_465.cif
_cod_data_source_block           Ba1K2N4O8
_cod_original_cell_volume        236.2865
_cod_original_formula_sum        'Ba1 K2 N4 O8'
_cod_database_code               1533939
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,x-y,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
O1 O-2 0 0.4297 0.332 0.5 0.0
N2 N+3 0 0 0 1 0.0
N1 N+3 0 0.5 0.5 1 0.0
K1 K+1 0.3333 0.6667 0 1 0.0
Ba1 Ba+2 0 0 0.5 1 0.0
O2 O-2 0 0.1468 0 0.333 0.0
