#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/52/9015229.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015229
loop_
_publ_author_name
'Brown, C.'
'Cox, E.'
_publ_section_title
;
 The Crystal Structure of Potassium Sulphamate
 _cod_database_code 1010479
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              1
_journal_page_last               10
_journal_volume                  1940
_journal_year                    1940
_chemical_formula_sum            'K N O3 S'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2a 2ab'
_symmetry_space_group_name_H-M   'P b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.32
_cell_length_b                   8.28
_cell_length_c                   5.9
_cell_formula_units_Z            4
_cell_volume                     406.449
_database_code_amcsd             0017395
_exptl_crystal_density_diffrn    2.176
_cod_duplicate_entry             1010479
_cod_original_formula_sum        'K S N O3'
_cod_database_code               9015229
_amcsd_formula_title             'H2 K N O3 S'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,-z
1/2-x,-y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
K1 0.25000 0.00000 0.66300 0
S1 0.13700 0.25000 0.18000 0
N1 0.31200 0.25000 0.28500 2
O1 0.15700 0.25000 0.93700 0
O2 0.05800 0.10800 0.26300 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017395
