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 0019872
4.3668 6.5831 8.4282 90 90 90 P2_12_12_1
atom x y z
Ca .28955 .98906 .51457
C .22679 .63243 .24756
O1 .98002 .53149 .22359
O2 .31307 .66026 .39468
O3 .11592 .29549 .63138
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