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 0019870
7.1239 7.1239 25.3203 90 90 120 P3_221
atom      x      y      z
Ca1  .98731 .00884 .25020
Ca2  .66938 .29692 .25375
Ca3  .30357 .63281 .24648
C1   .03394 .36633 .16169
C2   .94957 .62773 .66089
C3        0 .30149    5/6
C4        0 .69852    1/3
O5        0 .11971    5/6
O6        0 .87944    1/3
O7   .98084 .37860 .78859
O8   .99342 .60886 .28838
O9   .92793 .26758 .12000
O10  .99651 .67669 .61111
O11  .21701 .54412 .15803
O12  .77434 .44983 .67169
O13  .96475 .29501 .20912
O14  .07260 .75107 .69768