VESUVIANITE [10], structure type - vesuvianite, DN

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.7500
0.2500
0.0000
0.2700
Si=0.9590
2
0.5410
0.1810
0.8712
0.4700
Si
3
0.6505
-0.0821
0.6346
0.5800
Si
4
0.7500
0.2500
0.7500
0.7000
Ca
5
0.6887
0.0432
0.8795
0.6400
Ca
6
0.4011
0.1785
0.6139
0.9300
Ca
7
0.7500
-0.2500
0.8645
1.5500
Ca=0.4600, Na=0.0400
8
0.7500
-0.2500
0.9378
1.6000
Fe=0.5000
9
0.5000
0.0000
0.5000
0.5200
Al
10
0.6127
0.3791
0.8736
0.4300
Al=0.8600, Mg=0.1100, Fe=0.0300
11
0.7196
0.3275
0.9147
0.5800
O
12
0.6173
0.1593
0.7788
0.6600
O
13
0.5497
0.2789
0.9234
0.5700
O
14
0.5626
0.1065
0.9698
0.5200
O
15
0.6699
0.0159
0.6773
0.7900
O
16
0.7293
-0.1171
0.5594
1.1200
O
17
0.4441
0.1746
0.8226
0.7400
O
18
0.5907
-0.0609
0.9346
0.5800
O
19
0.6425
-0.1425
0.7500
0.9900
O
20
0.7500
-0.2500
0.1110
2.0000
O=0.5000
21
0.7500
-0.2500
0.1658
1.5000
(Cl)=0.2000, F=0.2500
22
0.4378
-0.0056
0.8637
0.7800
F=0.3500, O=0.6500
23
0.4330
0.0190
0.7970
3.9500
H=0.6500