#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007484.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9007484
_chemical_name 'Vanthoffite'
loop_
_publ_author_name
'Fischer W'
'Hellner E'
_journal_name_full "Acta Crystallographica"
_journal_volume 17
_journal_year 1964
_journal_page_first 1613
_journal_page_last 1613
_publ_section_title
;
 Ueber die struktur des vanthoffits
 Locality: synthetic
;
_chemical_formula_sum 'Na6 Mg S4 O16'
_cell_length_a 9.797
_cell_length_b 9.217
_cell_length_c 8.199
_cell_angle_alpha 90
_cell_angle_beta 113.5
_cell_angle_gamma 90
_cell_volume 678.956
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_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