Hydroniumjarosite
Plasil J, Skoda R, Fejfarova K, Cejka J, Kasatkin A V, Dusek M, Talla D,
Lapcak L, Machovic V, Dini M
Mineralogical Magazine 78 (2014) 535-547
Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile:
Single-crystal X-ray diffraction and vibrational spectroscopic study
Locality: Cerros Pintados, Iquique Province, Chile
_database_code_amcsd 0020230
7.3408 7.3408 17.0451 90 90 120 R-3m
atom           x         y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
H2         -.053      .053   -.036 .385   .046
O4             0         0       0  .77  .0229  .0263  .0263   .016  .0131      0      0
Na             0         0       0   .2  .0229  .0263  .0263   .016  .0131      0      0
K              0         0       0  .02  .0229  .0263  .0263   .016  .0131      0      0
Fe           1/3       1/6     1/6 .983 .00950  .0074  .0098  .0105 .00368 .00027 .00014
Al           1/3       1/6     1/6  .01 .00950  .0074  .0098  .0105 .00368 .00027 .00014
S            2/3       1/3  .02556 .985  .0107  .0119  .0119  .0082 .00594      0      0
Si           2/3       1/3  .02556 .015  .0107  .0119  .0119  .0082 .00594      0      0
O1           2/3       1/3 -.06013       .0157  .0190  .0190  .0090  .0095      0      0
O2         .4472    .22362  .05494       .0157  .0108  .0209  .0120  .0054  .0007  .0003
O3        .12726     .2545  .13504       .0172  .0101  .0133  .0293  .0066  .0048  .0097
H1         .1752      .350   .1094       .0206