American Mineralogist Crystal Structure Database

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Vaterite
Download hom/vaterite.pdf
Demichelis R, Raiteri P, Gale J D, Dovesi R
Crystal Growth & Design 13 (2013) 2247-2251
The multiple structures of vaterite
Locality: theoretical
_database_code_amcsd 0019867
12.245 7.197 9.305 90 115.16 90 C2
atom     x     y     z
Ca1  .2374 .2662 .7589
Ca2  .0838 .2646 .2550
Ca3  .4362 .2191 .2551
C1   .1878 .4017 .0152
C2   .3080 .1029 .4812
C3       0 .9508     0
C4       0 .0408    .5
O1   .1033 .4281 .8729
O2   .4030 .0335 .5915
O3   .1808 .4642 .1401
O4   .2852 .0826 .3316
O5   .5498 .3642 .1347
O6   .9584 .1266 .3651
O7   .2809 .3089 .0255
O8   .2315 .1956 .5135
O9       0 .1303     0
O10      0 .8614    .5
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