#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310371.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_2310371
loop_
_publ_author_name
'Cruickshank, D.W.J.'
'Jones, D.W.'
_publ_section_title
;
 A refinement of the crystal structure of potassium imidodisulphate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              877
_journal_page_last               883
_journal_volume                  16
_journal_year                    1963
_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                 91.18
_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                     665.003
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cruickshank_ACCRA9_1963_1717.cif
_cod_data_source_block           H1K2N1O6S2
_cod_original_cell_volume        665.0026
_cod_original_formula_sum        'H1 K2 N1 O6 S2'
_cod_database_code               2310371
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
H1 H+1 0.5 -0.0576 0.75 1 0.0
K1 K+1 0.3476 0.6414 0.6427 1 0.0
O2 O-2 0.3282 0.0335 0.589 1 0.0
S1 S+6 0.3988 0.1783 0.6398 1 0.0
O1 O-2 0.4437 0.2717 0.4819 1 0.0
O3 O-2 0.3519 0.2999 0.7723 1 0.0
N1 N-3 0.5 0.077 0.75 1 0.0
