#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007584.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_9007584
_chemical_name 'VOSO4(H2O)3'
loop_
_publ_author_name
'Theobald F'
'Galy J'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 29
_journal_year 1973
_journal_page_first 2732
_journal_page_last 2736
_publ_section_title
;
 Structure cristalline de VOSO4((H2O)3
 Locality: synthetic
 Note: polymorph of bobjonesite
;
_chemical_formula_sum 'V S O8 H6'
_cell_length_a 7.411
_cell_length_b 7.439
_cell_length_c 12.272
_cell_angle_alpha 90
_cell_angle_beta 108.9
_cell_angle_gamma 90
_cell_volume 640.084
_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
V   0.30690   0.71710   0.37460   0.00988
S   0.24140   0.36040   0.51230   0.00887
O1   0.56670   0.69710   0.49290   0.01558
O2   0.20000   0.54030   0.46380   0.02318
O3   0.09670   0.23210   0.43910   0.02039
Wat4   0.02760   0.79730   0.29100   0.01811
O5   0.32440   0.59760   0.27410   0.02900
O6   0.24120   0.35980   0.63090   0.02254
Wat7   0.25330   0.89250   0.51380   0.01672
Wat8   0.38940   0.96180   0.32960   0.02660