data_global
_amcsd_formula_title '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
 Note: polymorph of bobjonesite
;
_database_code_amcsd 0009497
_chemical_compound_source 'Synthetic'
_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
_exptl_crystal_density_diffrn      2.252
_symmetry_space_group_name_H-M 'P 1 21/c 1'
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
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