TITANTARAMELLITE [1], structure type - taramellite

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.7500
0.2500
0.2362
1.4700
Ba
2
0.2500
0.2500
0.4671
1.3700
Ba
3
0.2500
0.4716
0.0078
0.8200
Ba
4
0.6285
0.5026
0.4758
0.7600
Ti=0.7500, Fe=0.2500
5
0.4896
0.3659
0.2062
0.4600
Si
6
0.4736
0.6441
0.2051
0.4900
Si
7
0.2500
0.6585
0.2787
0.1700
B
8
0.5087
0.2500
0.2217
1.1400
O
9
0.5191
0.7500
0.2656
0.8100
O
10
0.2500
0.5754
0.4094
1.1100
O
11
0.7500
0.5711
0.3609
2.1100
O
12
0.5383
0.6090
0.0162
0.7600
O
13
0.3810
0.3994
0.3149
0.7800
O
14
0.6066
0.4118
0.2628
0.8600
O
15
0.3453
0.6477
0.1458
0.8000
O
16
0.4938
0.5718
0.3741
0.9200
O
17
0.2500
0.7500
0.3780
0.9000
O
18
0.2500
0.2500
-0.0049
1.6400
(Cl)=0.9500