American Mineralogist Crystal Structure Database

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Kieserite
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Talla D, Balla M, Aicher C, Lengauer C L, Wildner M
American Mineralogist 105 (2020) 1472-1489
Structural and spectroscopic study of the kieserite-dwornikite solid-solution
series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical
implications for icy moons and Mars
Locality: synthetic
_database_code_amcsd 0020992
6.8909 7.6222 7.5920 90 117.984 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)
Ni        0     .5      0 .236 .00964  .0085  .0092  .0103 -.00038 .00367 .00037
Mg        0     .5      0 .764 .00964  .0085  .0092  .0103 -.00038 .00367 .00037
S         0 .15535    .25      .00930 .00710 .00889 .01112       0 .00362      0
O1   .17513 .04528 .39678       .0154  .0100  .0165  .0178   .0040  .0051  .0067
O2   .09460 .26806 .15065       .0140  .0133  .0125  .0186   .0011  .0094  .0049
O3        0  .6341    .25       .0126  .0104  .0140  .0131       0  .0052      0
H      .092   .688   .286        .026
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