data_global
_chemical_name_mineral 'Natrojarosite'
loop_
_publ_author_name
'Nestola F'
'Mills S J'
'Periotto B'
'Scandolo L'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 77 
_journal_year 2013
_journal_page_first 3007
_journal_page_last 3017
_publ_section_title
;
 The alunite supergroup under high pressure: the case of natrojarosite,
 NaFe3(SO4)2(OH)6
 Note: P = 4.729 GPa
;
_database_code_amcsd 0020122
_chemical_compound_source 'Londonderry Li deposit, Nepean, Western Australia, Australia'
_chemical_formula_sum 'Na Fe3 S2 O14 H6'
_cell_length_a 7.2205
_cell_length_b 7.2205
_cell_length_c 15.9139
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 718.525
_exptl_crystal_density_diffrn      3.360
_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_U_iso_or_equiv
Na   0.00000   0.00000   0.00000   0.03700
Fe   0.83333   0.16667   0.16667   0.01440
S   0.66667   0.33333   0.01580   0.01600
O1   0.66667   0.33333  -0.07630   0.01200
O2   0.77800   0.22200   0.04490   0.01700
O-H3   0.12630   0.25270   0.13210   0.01500