#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015317.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_9015317
loop_
_publ_author_name
'Buchmeier, W.'
'Engelen, B.'
'Müller, H.'
_publ_section_title
;
 Kristallstruktur von MgSO₃ * H₂O
;
_journal_issue                   2
_journal_name_full               'Zeitschrift für Naturforschung B'
_journal_page_first              131
_journal_page_last               134
_journal_paper_doi               10.1515/znb-1998-0201
_journal_volume                  53
_journal_year                    1998
_chemical_formula_sum            'Mg O4 S'
_chemical_name_systematic        'Magnesium sulfate(IV) hydrate'
_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                 90.49(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.699(1)
_cell_length_b                   12.751(3)
_cell_length_c                   5.618(1)
_cell_volume                     336.601
_database_code_amcsd             0018266
_exptl_crystal_density_diffrn    2.375
_cod_duplicate_entry             1100102
_cod_original_formula_sum        'S Mg O4'
_cod_database_code               9015317
_amcsd_formula_title             'H2 Mg O4 S'
loop_
_space_group_symop_operation_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_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1 0.42430 0.38783 0.67770
Mg1 0.34760 0.26920 0.17670
O1 0.55940 0.32620 0.47000
O2 0.06000 0.17350 0.38650
O3 0.61630 0.14080 0.17590
O4 0.06440 0.39560 0.17310
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018266
