#------------------------------------------------------------------------------
#$Date: 2016-01-09 12:53:15 +0100 (Sat 09 de Jan de 2016) $
#$Revision: 173873 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/19/1541981.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_1541981
loop_
_publ_author_name
'Holden, J.R.'
'Dickinson, C.W.'
_publ_section_title
;
 Crystal Structures of Three Solid Solution Phases of Ammonium Nitrate and
 Potassium Nitrate
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              249
_journal_page_last               256
_journal_volume                  79
_journal_year                    1975
_chemical_formula_sum            'H3.52 K0.12 N1.88 O3'
_chemical_name_systematic        '(N H4)0.88 K0.12 N O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.66
_cell_length_b                   5.8
_cell_length_c                   7.112
_cell_volume                     315.972
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Holden_JPCHAX_1975_308.cif
_cod_data_source_block           H3.52K0.12N1.88O3
_cod_database_code               1541981
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
K1 K+1 -0.0114 0.75 0.3168 0.12 0.0
O2 O-2 0.2015 0.064 0.054 1 0.0
O1 O-2 0.0598 0.25 0.2679 1 0.0
H2 H+1 0.0978 0.75 0.3913 0.88 0.0
N1 N-3 -0.0114 0.75 0.3168 0.88 0.0
N2 N+5 0.1554 0.25 0.1264 1 0.0
H3 H+1 -0.0151 0.8894 0.2365 0.88 0.0
H1 H+1 -0.113 0.75 0.4028 0.88 0.0
