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#$Date: 2016-01-09 13:53:44 +0200 (Sat, 09 Jan 2016) $
#$Revision: 173875 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/19/1541983.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_1541983
loop_
_publ_author_name
'Holden, J.R.'
'Dickinson, C.W.'
_publ_section_title
;
 Crystal Structures of Three Solid Solution Phases of Potassium Nitrate
 and Ammonium 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            'H2.548 K0.366 N1.637 O3'
_chemical_name_systematic        'K.366 (N H4).637 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                   7.635
_cell_length_b                   5.739
_cell_length_c                   7.026
_cell_volume                     307.860
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Holden_JPCHAX_1975_318.cif
_cod_data_source_block           H2.548K0.366N1.637O3
_cod_original_cell_volume        307.8601
_cod_database_code               1541983
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
O2 O-2 0.2019 0.0618 0.0551 1 0.0
O1 O-2 0.0602 0.25 0.2717 1 0.0
K1 K+1 -0.0125 0.75 0.3162 0.366 0.0
H3 H+1 -0.0163 0.8909 0.235 0.637 0.0
H1 H+1 -0.1145 0.75 0.4033 0.637 0.0
N1 N-3 -0.0125 0.75 0.3162 0.637 0.0
H2 H+1 0.097 0.75 0.3916 0.637 0.0
N2 N+5 0.1555 0.25 0.1293 1 0.0
