American Mineralogist Crystal Structure Database

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Krausite
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Graeber E J, Morosin B, Rosenzweig A
American Mineralogist 50 (1965) 1929-1936
The crystal structure of krausite, KFe(SO4)2.H2O
_database_code_amcsd 0000141
7.908 5.152 8.988 90 102.75 90 P2_1/m
atom     x     y     z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Fe   .0892   1/4 .2277 .005047 .014844 .002576        0 -.000662        0
K    .5742   1/4 .2153 .005913 .029480 .005914        0 -.000518        0
S1   .6655   1/4 .6533 .005350 .015042 .003806        0 -.001080        0
S2   .1555   1/4 .8812 .003854 .013186 .002811        0 -.000447        0
O1   .7401   1/4 .5191 .011767 .026231 .004694        0  .000828        0
O2   .4779   1/4 .6242 .006022 .023029 .011516        0 -.004466        0
O3   .7279 .0171 .7494 .009825 .018894 .005960  .007348  .003335  .005015
O4   .0602   1/4 .0057 .008422 .019553 .001926        0 -.001534        0
O5   .3416   1/4 .9363 .005442 .032560 .005400        0 -.002743        0
O6   .1015 .0154 .7848 .008859 .018442 .005465 -.006134  .004204 -.005087
Wat7 .1069   1/4 .4563 .011313 .028199 .003208        0  .000163        0
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