HAINITE [1]

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.0000
0.0000
1.8900
Ti
2
0.2775
0.3307
0.2618
1.0900
Si
3
0.2723
0.7726
0.2569
1.5000
Si
4
0.7097
0.6368
0.7534
1.5200
Si
5
0.7160
0.1959
0.7564
1.1600
Si
6
0.3607
0.0830
0.7913
1.1200
Ca
7
0.6328
0.4063
0.2318
1.7200
Ca
8
0.3627
0.5869
0.7839
1.3900
Ca
9
0.6333
0.9024
0.2273
1.6100
Ca=0.7000, Mn=0.2000, Fe=0.1000
10
0.9969
0.7462
0.5085
2.0000
Ca
11
0.9810
0.2344
0.4985
1.5000
Na
12
0.9980
0.4990
0.0000
1.5000
Na
13
0.8780
0.9560
0.2640
1.0000
O
14
0.3810
0.8520
0.0760
2.1000
O
15
0.1110
0.0220
0.7530
2.1000
O
16
0.6100
0.6560
0.9430
1.3000
O
17
0.6150
0.1310
0.9350
2.7000
O
18
0.6400
0.6650
0.4810
3.4000
O
19
0.8720
0.7630
0.8250
1.1000
O
20
0.3410
0.8350
0.5280
3.0000
O
21
0.1100
0.8150
0.1650
1.9000
O
22
0.7440
0.4260
0.7830
2.9000
O
23
0.3800
0.3180
0.0670
3.4000
O
24
0.2390
0.5400
0.2280
3.6000
O
25
0.3540
0.3210
0.5370
2.3000
O
26
0.8810
0.1580
0.8380
1.9000
O
27
0.1190
0.2010
0.1980
2.9000
O
28
0.6600
0.1350
0.4750
3.1000
O
29
0.8790
0.4640
0.3040
3.0000
F
30
0.1090
0.5150
0.7010
1.7000
F