#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/64/9016402.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_9016402
loop_
_publ_author_name
'Lisensky, G. C.'
'Levy, H. A.'
_publ_section_title
;
 Sodium thiosulfate pentahydrate: a redetermination by neutron diffraction
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1975
_journal_page_last               1977
_journal_paper_doi               10.1107/S0567740878007116
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'H5 Na O4 S'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.804
_cell_angle_gamma                90
_cell_length_a                   5.9522
_cell_length_b                   21.618
_cell_length_c                   7.543
_cell_formula_units_Z            8
_cell_volume                     942.560
_database_code_amcsd             0015973
_exptl_crystal_density_diffrn    1.749
_cod_duplicate_entry             1008026
_cod_original_formula_sum        'S Na O4 H5'
_cod_database_code               9016402
_amcsd_formula_title             'H10 Na2 O8 S2'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1 0.10130 0.06800 0.10700
S2 0.14760 0.14160 0.27790
Na1 0.72320 0.34120 0.07430
Na2 0.25460 0.40840 0.21560
O1 0.33780 0.12780 0.43460
O2 0.93290 0.15320 0.33390
O3 0.20260 0.19530 0.17400
O4 0.62250 0.23450 0.09880
O5 0.09070 0.31360 0.27860
O6 0.61610 0.36780 0.35650
O7 0.86360 0.44800 0.10960
O8 0.64550 0.01510 0.24590
H1 0.48170 0.22390 0.13390
H2 0.74100 0.21330 0.18710
H3 0.13640 0.27340 0.24530
H4 0.10780 0.31170 0.40870
H5 0.61000 0.33130 0.42870
H6 0.74980 0.38990 0.42220
H7 0.84990 0.48210 0.18790
H8 0.79120 0.46180 0.98740
H9 0.74910 0.03670 0.18850
H10 0.49640 0.03360 0.20390
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015973
