FERROTSCHERMAKITE [1], DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.2799
0.0864
0.3012
0.5900
Al=0.3800, Si=0.6200
2
0.2926
0.1736
0.8161
0.5900
Si=0.8800, Al=0.1200
3
0.0000
0.0902
0.5000
0.6500
Fe=0.6100, Mg=0.3900
4
0.0000
0.1782
0.0000
0.5500
Fe=0.2000, Mg=0.1000, Al=0.6500
5
0.0000
0.0000
0.0000
0.6000
Fe=0.7800, Mg=0.2200
6
0.0000
0.2806
0.5000
0.8500
Ca=0.9300, Na=0.0500, Mn=0.0100
7
0.1046
0.0936
0.2099
1.0100
O
8
0.1198
0.1766
0.7419
0.8000
O
9
0.1136
0.0000
0.7126
0.9900
O
10
0.3713
0.2511
0.7951
0.8900
O
11
0.3516
0.1401
0.1093
0.9900
O
12
0.3418
0.1206
0.6021
1.0100
O
13
0.3323
0.0000
0.2861
1.3900
O
14
0.0000
0.4784
0.0000
1.3000
Na=0.0600, K=0.0150
15
0.0272
0.5000
0.0621
1.7400
Na=0.0600, K=0.0150
16
0.2020
0.0000
0.7840
0.9900
H=0.9900