data_global
_chemical_name_mineral 'Jarosite'
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: M
;
_database_code_amcsd 0004573
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K.52 Na.46 Fe3 S2 O14 H6'
_cell_length_a 7.3079
_cell_length_b 7.3079
_cell_length_c 16.9028
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 781.762
_exptl_crystal_density_diffrn      3.139
_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   0.52000   0.02406
Na   0.00000   0.00000   0.00000   0.46000   0.02406
Fe   0.16667  -0.16667  -0.16667   1.00000   0.02710
S   0.00000   0.00000   0.31020   1.00000   0.01520
O1   0.00000   0.00000   0.39450   1.00000   0.02533
O2   0.22460  -0.22460  -0.05400   1.00000   0.02406
O3   0.12710  -0.12710   0.13250   1.00000   0.00507
H   0.15700  -0.15700   0.17300   1.00000   0.02533