HOLTITE [4], DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.4130
0.7500
0.2517
0.0000
Ta=0.3000, Al=0.2600
2
0.5550
0.6080
0.4712
0.0000
Al=0.9500, Sb=0.0500
3
0.0590
0.4915
0.4320
0.0000
Al
4
0.0610
0.3604
0.2893
0.0000
Al=0.9800
5
0.1030
0.7500
0.3911
0.0000
Sb=0.4400
6
0.5860
0.5130
0.3320
0.0000
Si=0.6500
7
0.6190
0.5570
0.3192
0.0000
Sb=0.3000, As=0.0500
8
0.2300
0.2500
0.4120
0.0000
B
9
0.3780
0.7500
0.4540
0.0000
O
10
0.1650
0.7500
0.3320
0.0000
O=0.5600
11
0.8950
0.6370
0.4258
0.0000
O
12
0.4000
0.4330
0.2826
0.0000
O
13
0.3960
0.5530
0.3940
0.0000
O
14
0.8860
0.4590
0.3493
0.0000
O
15
0.6690
0.6400
0.2900
0.0000
O=0.6500
16
0.1740
0.2500
0.3460
0.0000
O
17
0.2510
0.3470
0.4449
0.0000
O
18
0.7530
0.2500
0.2800
0.0000
O
19
0.7460
0.4670
0.4893
0.0000
O