Vaterite
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 0019868
12.281 7.142 9.371 90 115.48 90 Cc
atom     x     y     z
Ca1  .2400 .2560 .0042
Ca2  .0790 .2501 .4981
Ca3  .9294 .2948 .0031
C1   .1932 .3934 .2653
C2   .8096 .3956 .2337
C3   .4982 .4493 .2498
O1   .1126 .4487 .1289
O2   .9095 .4360 .3518
O3   .1923 .4435 .3965
O4   .7909 .4322 .0885
O5   .5408 .3799 .3925
O6   .4519 .3465 .1249
O7   .2765 .2834 .2662
O8   .7239 .3157 .2551
O9   .0040 .1287 .2377