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: K
;
_database_code_amcsd 0004571
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(K.76 Na.24) Fe3 S2 O14 H6'
_cell_length_a 7.3045
_cell_length_b 7.3045
_cell_length_c 17.0875
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 789.569
_exptl_crystal_density_diffrn      3.135
_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   0.76000   0.00887
Na   0.00000   0.00000   0.00000   0.24000   0.00887
Fe   0.16667  -0.16667  -0.16667   1.00000   0.02875
S   0.00000   0.00000   0.30910   1.00000   0.02026
O1   0.00000   0.00000   0.39470   1.00000   0.03040
O2   0.22260  -0.22260  -0.05420   1.00000   0.02406
O3   0.12750  -0.12750   0.13250   1.00000   0.00760
H   0.16500  -0.16500   0.16800   1.00000   0.02533