data_global
_chemical_name_mineral 'Ivsite'
loop_
_publ_author_name
'Catti M'
'Ferraris G'
'Ivaldi G'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 35 
_journal_year 1979
_journal_page_first 525
_journal_page_last 529
_publ_section_title
;
 A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2
 and S-OH vs O-H...O correlation
;
_database_code_amcsd 0020234
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na3 S2 O8 H'
_cell_length_a 8.648
_cell_length_b 9.648
_cell_length_c 9.143
_cell_angle_alpha 90
_cell_angle_beta 108.77
_cell_angle_gamma 90
_cell_volume 722.284
_exptl_crystal_density_diffrn      2.410
_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
Na1   0.00000   0.00000   0.00000
Na2   0.50000   0.00000   0.50000
Na3   0.74530  -0.00600   0.27740
Na4   0.38690   0.15590   0.12790
S1   0.13929   0.30906   0.85771
S2   0.63436   0.31874   0.40524
O1   0.15470   0.15780   0.87520
O2   0.25540   0.37650   0.99160
O3  -0.03240   0.34960   0.85470
O4   0.15960   0.35680   0.71460
O5   0.61620   0.36480   0.55030
O6   0.80950   0.33750   0.41520
O7   0.59260   0.17180   0.37520
O8   0.53340   0.40440   0.27780
H  -0.10200   0.27000   0.87700