#------------------------------------------------------------------------------
#$Date: 2024-12-10 18:06:14 +0200 (Tue, 10 Dec 2024) $
#$Revision: 296820 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008019.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_9008019
loop_
_publ_author_name
'Zachariasen, W. H.'
'Mooney, R. C. L.'
_publ_section_title
;
 The atomic arrangement in ammonium and caesium persulphate (NH4)2S2O8 and
 Cs2S2O8, and the structure of the persulphate group
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              63
_journal_page_last               81
_journal_volume                  88
_journal_year                    1934
_chemical_formula_structural     (NH4)2S2O8
_chemical_formula_sum            'H8 N2 O8 S2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.15
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.83
_cell_length_b                   8.04
_cell_length_c                   6.13
_cell_volume                     384.345
_database_code_amcsd             0010520
_exptl_crystal_density_diffrn    1.902
_cod_duplicate_entry             1010247
_cod_original_formula_sum        'N S O4'
_cod_database_code               9008019
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
N N 0.14400 0.12500 0.25000 4
S S 0.13600 0.35000 0.70800 0
O1 O 0.04200 0.50000 0.61100 0
O2 O 0.02800 0.19400 0.68100 0
O3 O 0.20800 0.41700 0.93100 0
O4 O 0.29200 0.34700 0.59700 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Quir\'os, Miguel' 2024-05-02T13:48:35+03:00
;
 Z value and formula fixed to values more according to usual
 chemical conventions.
;
2 'Vaitkus, Antanas' 2024-12-10T18:06:02+02:00
;
 Added the '_atom_site_type_symbol' data item and updated the
 '_chemical_formula_sum' data value.
;
