VATERITE [3], mathematical model

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.9906
0.0094
0.0833
0.0000
Ca
2
0.6962
0.3039
0.0833
0.0000
Ca
3
0.3386
0.6614
0.0833
0.0000
Ca
4
0.0505
0.3726
0.9948
0.0000
C
5
0.0000
0.3090
0.6667
0.0000
C
6
0.0000
0.1310
0.6667
0.0000
O
7
0.9895
0.3907
0.6217
0.0000
O
8
0.9648
0.2893
0.9496
0.0000
O
9
0.2265
0.5509
0.9962
0.0000
O
10
0.9635
0.2812
0.0391
0.0000
O