MATHIASITE [1], structure type - crichtonite, DN

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.0000
0.0000
1.2400
K=0.6200, Na=0.1400, Ba=0.2400
2
0.5000
0.5000
0.5000
0.2600
Zr=0.7000, Ca=0.3000
3
0.3111
0.3111
0.3111
0.3600
Mg=0.4500, Fe=0.4500
4
0.3479
0.1227
0.0232
0.5800
Cr=0.6700, Fe=0.2200, V=0.1100
5
0.3071
0.7208
0.1457
0.3800
Ti
6
0.4754
0.0832
0.6386
0.3800
Ti
7
0.3692
0.3692
0.3692
2.2300
Mg=0.2000
8
0.3084
0.6261
0.3820
0.5200
O
9
0.1553
0.2394
0.9392
0.5200
O
10
0.9218
0.4583
0.2979
0.5200
O
11
0.1424
0.5175
0.9902
0.5200
O
12
0.3901
0.4879
0.1343
0.3700
O
13
0.7043
0.2434
0.0743
0.4200
O
14
0.2133
0.2133
0.2133
0.4500
O