data_global
_chemical_name_mineral 'Sideronatrite'
loop_
_publ_author_name
'Scordari F'
'Ventruti G'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 1679
_journal_page_last 1686
_publ_section_title
;
 Sideronatrite, Na2Fe(SO4)2(OH)*3H2O: Crystal structure of
 the orthorhombic polytype and OD character analysis
;
_database_code_amcsd 0020665
_chemical_compound_source 'Sierra Gorda, Chile'
_chemical_formula_sum 'Na2 Fe S2 O12 H7'
_cell_length_a 7.265
_cell_length_b 20.522
_cell_length_c 7.120
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1061.537
_exptl_crystal_density_diffrn      2.284
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1   0.82940   0.12240   0.12000   0.02670
Na2   0.82940   0.12240   0.62700   0.02670
Fe   0.25000   0.00000   0.12500   0.01000
S1   0.22510   0.13170   0.87810   0.01390
S2   0.87630   0.00560   0.37810   0.01190
O1   0.02910   0.14520   0.87810   0.02400
O2   0.32990   0.19270   0.87810   0.02500
O3   0.27950   0.09440   0.04630   0.01950
O4   0.27950   0.09440   0.70530   0.01950
O5   0.99000   0.01840   0.54970   0.01640
O6   0.99000   0.01840   0.20190   0.01640
O7   0.72220   0.05110   0.37810   0.01700
O8   0.68700   0.06250   0.87810   0.02300
O-H   0.34300   0.02410   0.37810   0.01500
Wat1   0.59840   0.19840   0.58350   0.04700
Wat2   0.03200   0.16610   0.37810   0.03500
Wat3   0.59840   0.19840   0.16760   0.04700
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe 0.00860 0.01630 0.00500 0.00090 0.00240 0.00140
S1 0.00700 0.02520 0.00960 0.00010 -0.00600 0.00300
S2 0.00720 0.02040 0.00830 -0.00010 -0.00100 0.00000