#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/58/9015867.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_9015867
loop_
_publ_author_name
'Flack, H.'
_publ_section_title
;
 Etude de la structure cristalline du sulfite de magnesium hexahydrate,
 Mg S O3 (H2 O)6
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              656
_journal_page_last               658
_journal_paper_doi               10.1107/S0567740873003110
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Mg O9 S'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.830
_cell_length_b                   8.830
_cell_length_c                   9.075
_cell_formula_units_Z            3
_cell_volume                     612.772
_database_code_amcsd             0018267
_exptl_crystal_density_diffrn    1.629
_cod_duplicate_entry             1100103
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'Mg S O9'
_cod_database_code               9015867
_amcsd_formula_title             'H12 Mg O9 S'
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+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 0.00000 0.00000 0.50010 0
O1 0.12710 0.17750 0.43030 0
O2 -0.19510 -0.19750 -0.12490 2
O3 0.18450 0.19310 0.13920 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018267
