American Mineralogist Crystal Structure Database

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Kieserite
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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: Sample Mg0.55Fe0.45
Locality: Synthetic
_database_code_amcsd 0021010
6.9889 7.6014 7.7101 90 118.304 90 C2/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Mg        0     .5      0 .55 .00961 .00857 .00971 .00995 -.00026 .00390 .00065
Fe        0     .5      0 .45 .00961 .00857 .00971 .00995 -.00026 .00390 .00065
S         0 .15413    .25     .00855 .00669 .00807 .01013       0 .00336      0
O1   .17307 .04384 .39605     .01603  .0105  .0174  .0178  .00461  .0047  .0074
O2   .09347 .26779 .15273     .01442  .0141  .0130  .0190  .00161  .0101 .00529
O3        0 .63940    .25     .01308  .0122  .0139  .0133       0  .0063      0
H      .094   .704   .287       .036
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