American Mineralogist Crystal Structure Database

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Szomolnokite
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Talla D, Wildner M
American Mineralogist 104 (2019) 1732-1749
Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O,
with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy
under ambient and martian temperature conditions
Note: T = -160 C
Locality: Synthetic
_database_code_amcsd 0021016
7.0404 7.5756 7.7450 90 118.368 90 C2/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe        0     .5      0 .00387 .00364 .00378 .00416 .00003 .00182 .00046
S         0 .15512    .25 .00351 .00283 .00326 .00436      0 .00162      0
O1   .16853 .04497 .40047 .00700 .00455 .00773 .00792 .00210 .00231 .00347
O2   .09991 .27015 .15910 .00624 .00607 .00564 .00832 .00030 .00450 .00221
O3        0 .64381    .25 .00616  .0060  .0064  .0064      0 .00316      0
H      .109   .712   .292   .021
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