MANANDONITE [1], 2H2

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.1693
0.1705
0.2250
0.0000
Al=0.7100, Li=0.2900
2
0.6770
0.0003
0.2256
0.0000
Al=0.7100, Li=0.2800
3
0.6739
0.3347
0.2247
0.0000
Al=0.6000, Li=0.3900
4
0.0120
0.0002
0.0298
0.0000
Si=0.6200, Al=0.2900, B=0.0900
5
0.0149
0.3328
0.0298
0.0000
Si=0.4000, Al=0.1400, B=0.4600
6
0.0099
0.0006
0.1506
0.0000
O
7
0.0166
0.3345
0.1456
0.0000
O
8
0.1109
0.1703
-0.0097
0.0000
O
9
0.2106
0.4612
-0.0114
0.0000
O
10
0.2212
-0.1332
-0.0096
0.0000
O
11
0.5106
0.1632
0.1498
0.0000
OH
12
0.3458
0.0099
0.2936
0.0000
OH
13
0.3385
0.3392
0.2954
0.0000
OH
14
0.8489
0.1665
0.2977
0.0000
OH
15
0.3377
0.3244
0.7244
0.0000
Al=0.5800, Li=0.4100
16
-0.1612
0.4972
0.7261
0.0000
Al=0.7200, Li=0.2800
17
-0.1556
0.1633
0.7265
0.0000
Al=0.7300, Li=0.2600
18
0.0131
-0.0011
0.5305
0.0000
Si=0.6000, Al=0.2700, B=0.1300
19
-0.4889
0.1630
0.5304
0.0000
Si=0.4100, Al=0.1500, B=0.4400
20
0.0218
0.0044
0.6517
0.0000
O
21
-0.4891
0.1563
0.6464
0.0000
O
22
0.3134
0.0367
0.4874
0.0000
O
23
-0.5873
0.3272
0.4948
0.0000
O
24
-0.1970
0.1310
0.4907
0.0000
O
25
0.0032
0.3302
0.6500
0.0000
OH
26
-0.3176
0.3230
0.7943
0.0000
OH
27
0.1619
0.4945
0.7945
0.0000
OH
28
0.1686
0.1556
0.7996
0.0000
OH
29
0.5271
0.1890
0.0894
0.0000
H
30
0.3193
0.0192
0.3589
0.0000
H
31
0.3639
0.3464
0.3606
0.0000
H
32
0.8268
0.1550
0.3621
0.0000
H
33
0.9866
0.3046
0.5903
0.0000
H
34
0.6961
0.3379
0.8601
0.0000
H
35
0.6895
0.9835
0.8598
0.0000
H
36
0.1443
0.1645
0.8648
0.0000
H