data_global
_chemical_name_mineral 'Matteuccite'
loop_
_publ_author_name
'Grimvall S'
_journal_name_full 'Acta Chemica Scandinavica'
_journal_volume 25 
_journal_year 1971
_journal_page_first 3213
_journal_page_last 3219
_publ_section_title
;
 The crystal structure of NaHSO4H2O
;
_database_code_amcsd 0011929
_chemical_formula_sum 'Na S O5 H3'
_cell_length_a 7.799
_cell_length_b 7.790
_cell_length_c 8.230
_cell_angle_alpha 90
_cell_angle_beta 119.95
_cell_angle_gamma 90
_cell_volume 433.237
_exptl_crystal_density_diffrn      2.117
_symmetry_space_group_name_H-M 'C 1 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na   0.23180   0.27770   0.00060   0.00595
S   0.00000   0.12900   0.25000   0.00317
O1   0.05370   0.25960   0.15810   0.00798
O2   0.79570   0.07300   0.13050   0.00253
O-h3   0.99860   0.21360   0.42630   0.00811
O4   0.14350   0.99170   0.32040   0.00836
Ow   0.45210   0.08890   0.25110   0.01051
H1   0.34500   0.05700   0.27400   0.02533
H2   0.95000   0.50900   0.15400   0.02533
H3   0.11300   0.29300   0.50800   0.02533