American Mineralogist Crystal Structure Database

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Barytocalcite
Download hom/barytocalcite.pdf
Dickens B, Bowen J S
 
Journal of Research of the National Bureau of Standards - Physics and Chemistry 75A (1971) 197-203
The crystal structure of BaCa(CO3)2 (barytocalcite)
Locality: Cumberland, England
_database_code_amcsd 0013289
8.092 5.2344 6.544 90 106.05 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)
Ba   .14740   .25 .28824 .00365 .00589 .00412      0 .00204       0
Ca   .62320   .25 .19855 .00264 .00456 .00366      0 .00107       0
C1    .8972   .75  .2483 .00343 .00593 .00347      0 .00086       0
C2    .6149   .25  .7468 .00281 .00675 .00385      0 .00138       0
O1    .0057   .75  .1393 .00595 .01195 .00651      0 .00393       0
O2    .8457 .9620  .3089 .00599 .00775 .00790 .00307 .00230  .00022
O3    .6383   .25  .5644 .00992 .01733 .00505      0 .00495       0
O4    .6066 .4604  .8474 .00533 .00556 .00632 .00098 .00265 -.00030
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