American Mineralogist Crystal Structure Database

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Anhydrite
Download hom/anhydrite.pdf
Kirfel A, Will G
Acta Crystallographica B36 (1980) 2881-2890
Charge density in anhydrite, CaSO4, from X-ray and neutron diffraction
measurements
Locality: Stassfurt, Germany
_database_code_amcsd 0020854
7.006 6.998 6.245 90 90 90 Amma
atom      x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca      .75      0 .34765       .0068  .0095  .0068      0      0      0
S       .25      0 .15577       .0059  .0069  .0047      0      0      0
O1      .25 .16956 .01607       .0178  .0084  .0090      0      0  .0024
O2   .08202      0 .29735       .0064  .0173  .0091      0  .0015      0
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