#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/90/1539089.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_1539089
loop_
_publ_author_name
'Shinnaka, Y.'
_publ_section_title
;
 X-ray study on the disordered structure above the ferroelectric curie
 point in potassium nitrate
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              820
_journal_page_last               828
_journal_volume                  17
_journal_year                    1962
_chemical_formula_sum            'K N O3'
_chemical_name_systematic        'K (N O3)'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                73.93
_cell_angle_beta                 73.93
_cell_angle_gamma                73.93
_cell_formula_units_Z            1
_cell_length_a                   4.498
_cell_length_b                   4.498
_cell_length_c                   4.498
_cell_volume                     82.032
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Shinnaka_JUPSAU_1962_1590.cif
_cod_data_source_block           K1N1O3
_cod_original_cell_volume        82.03189
_cod_original_sg_symbol_Hall     'R 3 -2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'K1 N1 O3'
_cod_database_code               1539089
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
y,x,z
z,y,x
x,z,y
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+5 0.48 0.48 0.48 0.5 0.0
O3 O-2 0.254 0.706 0.48 0.125 0.0
O1 O-2 0.561 0.561 0.169 0.5 0.0
N1 N+5 0.43 0.43 0.43 0.5 0.0
K1 K+1 -0.01 -0.01 -0.01 1 0.0
O2 O-2 0.706 0.254 0.48 0.125 0.0
