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#$Date: 2016-12-28 15:30:32 +0200 (Wed, 28 Dec 2016) $
#$Revision: 189483 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/06/2310611.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310611
loop_
_publ_author_name
'Jeffrey, G. A.'
'Jones, D. W.'
_publ_section_title
;
 The Crystal Structure of Potassium Aminedisulphonate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              283
_journal_page_last               289
_journal_paper_doi               10.1107/S0365110X56000796
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'H K2 N O6 S2'
_chemical_name_systematic        'K2 N H (S O3)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.18
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.43
_cell_length_b                   7.458
_cell_length_c                   7.175
_cell_volume                     665.140
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Jeffrey_ACCRA9_1956_191.cif
_cod_data_source_block           H1K2N1O6S2
_cod_original_cell_volume        665.1404
_cod_original_formula_sum        'H1 K2 N1 O6 S2'
_cod_database_code               2310611
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
N1 N-3 0.5 0.0753 0.75 1 0.0
O3 O-2 0.3522 0.3 0.7721 1 0.0
O1 O-2 0.4422 0.2711 0.481 1 0.0
K1 K+1 0.3476 0.6414 0.6428 1 0.0
O2 O-2 0.3276 0.033 0.5879 1 0.0
S1 S+6 0.3985 0.1783 0.6397 1 0.0