data_global
_chemical_name_mineral 'Sarmientite'
loop_
_publ_author_name
'Colombo F'
'Rius J'
'Vallcorba O'
'Pannunzio Miner E V'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 78 
_journal_year 2014
_journal_page_first 347
_journal_page_last 360
_publ_section_title
;
 The crystal structure of sarmientite, Fe3+2(AsO4)(SO4)(OH)*5H2O,
 solved ab initio from laboratory powder diffraction data
;
_database_code_amcsd 0020437
_chemical_compound_source 'Santa Elena mine, San Juan Province, Argentina'
_chemical_formula_sum 'Fe2 As S O14 H11'
_cell_length_a 6.5298
_cell_length_b 18.5228
_cell_length_c 9.6344
_cell_angle_alpha 90
_cell_angle_beta 97.444
_cell_angle_gamma 90
_cell_volume 1155.461
_exptl_crystal_density_diffrn      2.608
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe1  -0.39670  -0.13400  -0.03330   0.02406
Fe2  -0.20940  -0.01390  -0.29110   0.02406
As1  -0.30990   0.00230   0.19830   0.02406
S1  -0.03330  -0.25390  -0.05090   0.02406
O1  -0.10000   0.03520   0.30700   0.02786
O2  -0.49230  -0.00260   0.29780   0.02786
O3  -0.26260  -0.07290   0.12380   0.02786
O4  -0.36410   0.06600   0.06970   0.02786
Wat5  -0.20200   0.06530  -0.42840   0.02786
Wat6  -0.27540  -0.08070  -0.46330   0.02786
Wat7  -0.18090   0.06320  -0.14490   0.02786
O-H8  -0.22470  -0.09520  -0.17000   0.02786
Wat9  -0.53670  -0.20700  -0.16750   0.02786
Wat10  -0.54320  -0.19270   0.09830   0.02786
O11  -0.18020  -0.21570   0.01840   0.02786
O12   0.62150   0.78460   0.55490   0.02786
O13  -0.12010  -0.31890  -0.12770   0.02786
O14   0.92460   0.21040   0.13880   0.02786