American Mineralogist Crystal Structure Database

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Dwornikite
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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 0020993
6.8586 7.6202 7.5448 90 117.842 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 .5248 .00822 .00686 .00859 .00841 -.00026 .00288 .00028
Mg        0     .5      0 .4752 .00822 .00686 .00859 .00841 -.00026 .00288 .00028
S         0 .15612    .25       .00777 .00557 .00763 .00916       0 .00264      0
O1   .17421 .04590 .39953       .01420  .0082  .0160  .0164  .00372 .00416  .0068
O2   .09821 .26909 .15246       .01266  .0118  .0117  .0164  .00137  .0082 .00434
O3        0 .63291    .25       .01100  .0098  .0123  .0108       0  .0047      0
H      .111   .700   .294         .033
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