data_global
_chemical_name_mineral 'Jarosite'
loop_
_publ_author_name
'Basciano L C'
'Peterson R C'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 1464
_journal_page_last 1473
_publ_section_title
;
 Jarosite - hydronium jarosite solid solution series with
 full iron occupancy: Mineralogy and crystal chemistry
 Sample: 7-11-3-8
 Note: could not reproduce reported bond lengths
;
_database_code_amcsd 0004440
_chemical_compound_source 'Rio Tonto, Huelva, Spain'
_chemical_formula_sum 'K.84 H6.16 Fe2.73 S2 O14'
_cell_length_a 7.3128
_cell_length_b 7.3128
_cell_length_c 17.1973
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 796.450
_exptl_crystal_density_diffrn      3.000
_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
K   0.00000   0.00000   0.00000   0.84000   0.01773
H3O   0.00000   0.00000   0.00000   0.16000   0.01773
Fe   0.16667  -0.16667  -0.16667   0.91000   0.02052
S   0.00000   0.00000   0.31110   1.00000   0.01900
O1   0.00000   0.00000   0.39660   1.00000   0.01773
O2   0.22150  -0.22150  -0.05650   1.00000   0.03546
O3   0.12740  -0.12740   0.13670   1.00000   0.01267
H   0.16600  -0.16600   0.10200   1.00000   0.02533