#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/74/9007484.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_9007484
loop_
_publ_author_name
'Fischer, W.'
'Hellner, E.'
_publ_section_title
;
 Ueber die struktur des vanthoffits
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1613
_journal_page_last               1613
_journal_paper_doi               10.1107/S0365110X6400398X
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg Na6 O16 S4'
_chemical_name_mineral           Vanthoffite
_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                 113.5
_cell_angle_gamma                90
_cell_length_a                   9.797
_cell_length_b                   9.217
_cell_length_c                   8.199
_cell_formula_units_Z            2
_cell_volume                     678.956
_database_code_amcsd             0009292
_exptl_crystal_density_diffrn    2.673
_cod_original_formula_sum        'Na6 Mg S4 O16'
_cod_database_code               9007484
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
_atom_site_U_iso_or_equiv
Na1 0.31080 0.01550 0.46760 0.01507
Na2 0.44530 0.15160 0.09100 0.02558
Na3 0.88910 0.13820 0.31640 0.01988
Mg 0.00000 0.00000 0.00000 0.01089
S1 0.14000 0.30530 0.22460 0.00633
O1 0.03090 0.18450 0.15460 0.01532
O2 0.13660 0.39720 0.07620 0.01558
O3 0.09560 0.39380 0.34330 0.01748
O4 0.28870 0.24610 0.32010 0.02064
S2 0.66150 0.35290 0.34710 0.00735
O5 0.66920 0.19260 0.36010 0.01887
O6 0.64790 0.41500 0.50260 0.01912
O7 0.80110 0.40630 0.33380 0.01570
O8 0.53760 0.39710 0.18300 0.01773
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009292
