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: Sample Mg0.25Fe0.75
Locality: Synthetic
_database_code_amcsd 0021011
7.0417 7.579 7.753 90 118.491 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 .248 .00983 .00898 .01011 .00990 -.00023 .00410 .00077
Fe        0     .5      0 .752 .00983 .00898 .01011 .00990 -.00023 .00410 .00077
S         0 .15362    .25      .00867 .00702 .00837 .01003       0 .00360      0
O1   .17096 .04312 .39722      .01639  .0107  .0179  .0182   .0047  .0050  .0079
O2   .09476 .26783 .15504      .01461  .0145  .0132  .0190   .0014  .0103  .0053
O3        0 .64236    .25      .01368  .0130  .0149  .0132       0  .0062      0
H      .102   .710   .290        .037
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