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 Mg0.86Fe0.14
Locality: Synthetic
_database_code_amcsd 0021009
6.9379 7.6213 7.6634 90 118.138 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 .862 .00896 .00807 .00934 .00883 -.00042 .00346 .00055
Fe        0     .5      0 .138 .00896 .00807 .00934 .00883 -.00042 .00346 .00055
S         0 .15459    .25      .00791 .00630 .00778 .00892       0 .00298      0
O1   .17509 .04446 .39481      .01478  .0094  .0162  .0161  .00412 .00394  .0070
O2   .09221 .26771 .15040      .01334  .0135  .0119  .0173  .00142  .0095 .00529
O3        0 .63647    .25      .01221  .0117  .0134  .0118       0  .0058      0
H      .097   .698   .285        .032
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