#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/51/9015178.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_9015178
loop_
_publ_author_name
'Nardelli, M.'
'Fava, G.'
'Giraldi, G.'
_publ_section_title
;
 The Crystal Structure of Magnesium Thiosulphate Hexahydrate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica'
_journal_page_first              227
_journal_page_last               231
_journal_paper_doi               10.1107/S0365110X62000560
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'Mg O9 S2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.32
_cell_length_b                   14.36
_cell_length_c                   6.87
_cell_formula_units_Z            4
_cell_volume                     919.448
_database_code_amcsd             0018247
_exptl_crystal_density_diffrn    1.679
_cod_duplicate_entry             1100072
_cod_original_formula_sum        'Mg S2 O9'
_cod_database_code               9015178
_amcsd_formula_title             'H12 Mg O9 S2'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Mg1 0.00000 0.00000 0.00000 0
S1 0.04170 0.25000 0.43900 0
S2 0.21480 0.25000 0.61600 0
O1 -0.04270 0.16490 0.48230 0
O2 0.09220 0.25000 0.23480 0
O3 -0.15460 0.08210 0.14620 2
O4 0.12690 0.11720 -0.03040 2
O5 -0.09800 0.02750 -0.26380 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018247
