American Mineralogist Crystal Structure Database

2 matching records for this search.

Barytocalcite
Download hom/barytocalcite.pdf
Alm K F
 
Arkiv for Mineralogi och Geologi 2 (1960) 399-410
The crystal structure of barytocalcite BaCa(CO3)2
8.15 5.22 6.58 90 106.13 90 P2_1
atom    x    y    z
Ba   .142 .250 .283
Ca   .383 .734 .800
C1   .083 .205 .770
C2   .358 .740 .299
O1   .012 .150 .893
O2   .105 .444 .697
O3   .133 .020 .639
O4   .287 .680 .422
O5   .379 .974 .226
O6   .407 .550 .168
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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
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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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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