#------------------------------------------------------------------------------
#$Date: 2016-01-09 12:52:50 +0100 (Sat 09 de Jan de 2016) $
#$Revision: 173871 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/19/1541979.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_1541979
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            'H3.628 K0.093 N1.907 O3'
_chemical_name_systematic        'K.093 (N H4).907 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                   7.669
_cell_length_b                   5.821
_cell_length_c                   7.12
_cell_volume                     317.846
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Holden_JPCHAX_1975_307.cif
_cod_data_source_block           H3.628K0.093N1.907O3
_cod_original_cell_volume        317.8457
_cod_database_code               1541979
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
H1 H+1 -0.1125 0.75 0.4027 0.907 0.0
N2 N+5 0.155 0.25 0.1268 1 0.0
O2 O-2 0.2012 0.0638 0.0537 1 0.0
O1 O-2 0.06 0.25 0.2678 1 0.0
N1 N-3 -0.011 0.75 0.3168 0.907 0.0
H3 H+1 -0.0148 0.8889 0.2366 0.907 0.0
H2 H+1 0.098 0.75 0.3913 0.907 0.0
K1 K+1 -0.011 0.75 0.3168 0.093 0.0
