American Mineralogist Crystal Structure Database

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Brenkite
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Leufer U, Tillmanns E
 
Tschermaks Mineralogische und Petrographische Mitteilungen 27 (1980) 261-266
Die kristallstruktur von brenkit, Ca2F2CO3
_database_code_amcsd 0015679
7.650 7.550 6.548 90 90 90 Pbcn
atom      x      y      z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Ca   .32447 .16198 .46489 .002948 .002324 .004956 -.000043 -.000200 -.000051
C         0  .0283    .25 .003887 .002807 .003907  .000000 -.000449  .000000
O1        0  .2002    .25 .008373 .002500 .007580  .000000  .002845  .000000
O2    .3675  .4451  .3205 .004229 .004298 .010729  .000693  .003294  .002073
F     .3798  .1205  .1010 .003717 .004956 .006122 -.000303 -.000399 -.001011
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