data_global
_chemical_name_mineral 'Szomolnokite'
loop_
_publ_author_name
'Le Fur Y'
'Coing-Boyat J'
'Bassi G'
_journal_name_full 'Comptes Rendus de l'Academie des Sciences Paris'
_journal_volume C262 
_journal_year 1966
_journal_page_first 632
_journal_page_last 635
_publ_section_title
;
 Structure des sulfates monohydrates, monocliniques, des metaux de transition,
 MSO4*H2O (M = Mn, Fe, Co, Ni et Zn)
;
_database_code_amcsd 0021021
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe S O5 H2'
_cell_length_a 7.075
_cell_length_b 7.541
_cell_length_c 7.600
_cell_angle_alpha 90
_cell_angle_beta 116.183
_cell_angle_gamma 90
_cell_volume 363.873
_exptl_crystal_density_diffrn      3.102
_symmetry_space_group_name_H-M 'C 1 2/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'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe   0.00000   0.50000   0.00000   0.00101
S   0.00000   0.09600   0.25000   0.00393
O1   0.19500  -0.01600   0.35300   0.01482
O2   0.02000   0.20300   0.09800   0.01963
Wat   0.00000   0.61200   0.25000   0.01077