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The RRUFF Project is being updated to improve its interface and content. The beta version of the update is accessible to the public at RRUFF.net. New data is only being added to the beta site. Please note that it is in development, and some components are not functional. Existing RRUFF.info links will resolve to the new site after RRUFF.net is officially released.

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American Mineralogist Crystal Structure Database

1 matching records for this search.

Bassanite
Download hom/bassanite.pdf 
Abriel W, Nesper R
Zeitschrift fur Kristallographie 205 (1993) 99-113
Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit
Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen
Locality: synthetic
_database_code_amcsd 0019828
6.937 6.937 6.345 90 90 120 P3_121
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .5447     0   5/6      .0331  .0162  .0120 -.0004 -.0002  .0081
S    .5504     0   1/3      .0144  .0114  .0120  .0030  .0015  .0057
O1   .5969 .8550 .4653      .0224  .0256  .0376  .0215  .0042  .0152
O2   .3647 .8722 .1889      .0269  .0152  .0158 -.0027 -.0025 -.0012
Wat  .9015     0   5/6  .5  .0264  .0376   .179  -.027 -.0134  .0188


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