data_9003332
_chemical_name 'Metahohmannite'
loop_
_publ_author_name
'Scordari F'
'Ventruti G'
'Gualtieri A F'
_journal_name_full "American Mineralogist"
_journal_volume 89
_journal_year 2004
_journal_page_first 265
_journal_page_last 370
_publ_section_title
;
 The structure of metahohmannite, Fe2[O(SO4)2].4H2O,
 by in situ synchrotron powder diffraction
;
_chemical_formula_sum 'Fe2 S2 O13 H8'
_cell_length_a 7.3484
_cell_length_b 9.7710
_cell_length_c 7.1521
_cell_angle_alpha 91.684
_cell_angle_beta 98.523
_cell_angle_gamma 86.390
_cell_volume 506.746
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,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
Fe1   0.62200   0.46300   0.35600   0.02200
Fe2   0.63600   0.22600   0.70900   0.02200
S1   0.88500   0.18000   0.37400   0.01900
S2   0.34900   0.33300   0.00000   0.01900
O1   0.81600   0.14700   0.54800   0.02700
O2   0.08500   0.17000   0.41200   0.02700
O3   0.16300   0.67700   0.68200   0.02700
O4   0.78700   0.08300   0.24600   0.02700
O5   0.30900   0.45900   0.89000   0.02700
O6   0.50300   0.25300   0.93800   0.02700
O7   0.18500   0.25300  -0.02000   0.02700
O8   0.59700   0.63100   0.79700   0.02700
O9   0.50200   0.63100   0.45800   0.02700
Wat11   0.25100   0.95700   0.18000   0.02700
Wat12   0.59500   0.87100   0.39500   0.02700
Wat14   0.82100   0.55800   0.53300   0.02700
Wat16   0.86800   0.32000   0.82700   0.02700