Sarmientite
Colombo F, Rius J, Vallcorba O, Pannunzio Miner E V
Mineralogical Magazine 78 (2014) 347-360
The crystal structure of sarmientite, Fe3+2(AsO4)(SO4)(OH)*5H2O,
solved ab initio from laboratory powder diffraction data
Locality: Santa Elena mine, San Juan Province, Argentina
_database_code_amcsd 0020437
6.5298 18.5228 9.6344 90 97.444 90 P2_1/n
atom       x      y      z Biso
Fe1   -.3967 -.1340 -.0333  1.9
Fe2   -.2094 -.0139 -.2911  1.9
As1   -.3099  .0023  .1983  1.9
S1    -.0333 -.2539 -.0509  1.9
O1    -.1000  .0352  .3070  2.2
O2    -.4923 -.0026  .2978  2.2
O3    -.2626 -.0729  .1238  2.2
O4    -.3641  .0660  .0697  2.2
Wat5  -.2020  .0653 -.4284  2.2
Wat6  -.2754 -.0807 -.4633  2.2
Wat7  -.1809  .0632 -.1449  2.2
OH8   -.2247 -.0952 -.1700  2.2
Wat9  -.5367 -.2070 -.1675  2.2
Wat10 -.5432 -.1927  .0983  2.2
O11   -.1802 -.2157  .0184  2.2
O12    .6215  .7846  .5549  2.2
O13   -.1201 -.3189 -.1277  2.2
O14    .9246  .2104  .1388  2.2