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: F
;
_database_code_amcsd 0004434
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K.6 H6.4 Fe3 S2 O14'
_cell_length_a 7.32070
_cell_length_b 7.32070
_cell_length_c 17.1517
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 796.055
_exptl_crystal_density_diffrn      3.039
_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   0.60000   0.01393
H3O   0.00000   0.00000   0.00000   0.40000   0.01393
Fe   0.16667  -0.16667  -0.16667   1.00000   0.02913
S   0.00000   0.00000   0.30960   1.00000   0.02406
O1   0.00000   0.00000   0.39530   1.00000   0.05826
O2   0.22130  -0.22130  -0.05560   1.00000   0.03420
O3   0.12700  -0.12700   0.13600   1.00000   0.02533
H   0.17700  -0.17700   0.11100   1.00000   0.02533