data_global
_chemical_name_mineral 'Hydroniumjarosite'
loop_
_publ_author_name
'Basciano L C'
'Peterson R C'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 853
_journal_page_last 862
_publ_section_title
;
 Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
 jarosite solid-solution: A synthetic study with full Fe site occupancy
 Sample: U
;
_database_code_amcsd 0004581
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na.24 H6.76 Fe3 S2 O14'
_cell_length_a 7.34742
_cell_length_b 7.34742
_cell_length_c 16.9253
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 791.292
_exptl_crystal_density_diffrn      2.946
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na   0.00000   0.00000   0.00000   0.24000   0.08992
H3O   0.00000   0.00000   0.00000   0.76000   0.08992
Fe   0.16667  -0.16667  -0.16667   1.00000   0.02672
S   0.00000   0.00000   0.30940   1.00000   0.02406
O1   0.00000   0.00000   0.39980   1.00000   0.02786
O2   0.22420  -0.22420  -0.05480   1.00000   0.03546
O3   0.12660  -0.12660   0.13380   1.00000   0.00380
H   0.16900  -0.16900   0.16700   1.00000   0.02533