Vaterite
Demichelis R, Raiteri P, Gale J D, Dovesi R
CrystEngComm 14 (2012) 44-47
A new structural model for disorder in vaterite from first-principles calculations
Locality: theoretical
_database_code_amcsd 0019869
7.1120 7.1120 25.4089 90 90 120 P6_5
atom      x      y      z
Ca1  .95661 .97935 .08650
Ca2  .67921 .31096 .08050
Ca3  .30019 .62994 .08153
C1   .04111 .35589 .99496
C2   .65885 .61228 .00485
C3   .01935 .31215 .66700
O4   .03599 .14063 .67262
O5   .00532 .36944 .61897
O6   .58087 .59863 .37438
O7   .95631 .25748 .95143
O8   .64138 .66134 .05336
O9   .21600 .54229 .99401
O10  .67527 .44184 .99694
O11  .95776 .27600 .04054
O12  .66170 .72781 .96587