MURMANITE [2], DN

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.6830
0.5510
0.9940
1.1000
Ti=0.8500, Fe=0.1500
2
0.1650
0.0690
0.0010
1.2800
Ti=0.8500, Fe=0.1500
3
0.3160
0.4450
0.9810
1.4100
Ti=0.8500, Fe=0.1500
4
0.8000
0.9400
0.9830
1.2600
Ti=0.8500, Fe=0.1500
5
0.7430
0.0680
0.7210
1.8700
Ti
6
0.2480
0.5680
0.7170
2.1600
Ti
7
0.2200
0.9500
0.2710
1.0900
Ti=0.6000, Nb=0.4000
8
0.7540
0.4140
0.2580
0.8200
Ti=0.6000, Nb=0.4000
9
0.1420
0.1870
0.7420
1.6400
Si
10
0.6470
0.6870
0.7420
1.5700
Si
11
0.1430
0.5370
0.2220
1.5300
Si
12
0.8230
0.7980
0.2280
1.2800
Si
13
0.6130
0.0090
0.2150
0.9600
Si
14
0.3560
0.3280
0.2280
1.0100
Si
15
0.3440
0.9650
0.7660
1.8900
Si
16
0.8520
0.4660
0.7530
2.0900
Si
17
0.9050
0.3030
0.9880
0.1000
Na=0.5000
18
0.0690
0.6820
0.9740
0.6300
Na=0.5000
19
0.3810
0.8050
0.0040
1.9700
Na=0.5000
20
0.5520
0.1740
0.9860
0.7500
Na=0.5000
21
0.9830
0.1770
0.2720
1.3700
Na=0.3000, Mn=0.4500, Zr=0.2500
22
0.4920
0.3130
0.6960
1.9500
Na=0.4000, Ca=0.6000
23
0.9850
0.8090
0.7050
2.3900
Na=0.8000, K=0.2000
24
0.4800
0.6730
0.2720
3.7300
Na
25
0.3170
0.2840
0.0880
1.5400
O
26
0.8150
0.7640
0.0960
1.5100
O
27
0.9840
0.9420
0.2770
1.1200
O
28
0.1460
0.5060
0.0770
2.4500
O
29
0.6060
0.9670
0.0700
1.7700
O
30
0.7300
0.4110
0.1030
2.7400
O
31
0.1970
0.9360
0.1140
1.4500
O
32
0.4310
0.0040
0.2720
0.4700
O
33
0.2250
0.6860
0.2650
2.9400
O
34
0.7560
0.1870
0.2540
0.7000
O
35
0.9730
0.1000
0.0880
2.0200
O
36
0.9920
0.8990
0.9240
2.3000
O
37
0.4910
0.6120
0.0740
2.1300
O
38
0.3050
0.4910
0.2650
0.8500
O
39
0.5220
0.3770
0.2900
1.5700
O
40
0.6860
0.8760
0.2750
2.2900
O
41
0.2310
0.1930
0.2890
0.4900
O
42
0.5080
0.3950
0.9070
2.0700
O
43
0.8090
0.6390
0.2920
0.8200
O
44
0.1590
0.2430
0.8930
1.5900
O
45
0.2240
0.3280
0.6960
3.8500
O
46
0.9930
0.4160
0.2470
1.5300
O
47
0.5170
0.0510
0.7180
3.6900
O
48
0.0140
0.5400
0.7250
4.3000
O
49
0.2700
0.5710
0.8790
1.4700
O
50
0.6920
0.8520
0.6970
4.2800
O
51
0.7710
0.0830
0.8920
3.1500
O
52
0.2110
0.0260
0.7140
3.8600
O
53
0.5020
0.5490
0.7110
3.4800
O
54
0.9470
0.1410
0.7120
2.1600
O
55
0.6730
0.7330
0.9060
2.2800
O
56
0.3420
0.9950
0.9150
2.4300
O
57
0.8560
0.5050
0.8990
1.9800
O
58
0.3150
0.7690
0.7220
1.9400
O
59
0.8160
0.6340
0.7260
2.7200
O
60
0.8170
0.2740
0.7210
3.0600
O
61
0.2490
0.9820
0.4590
3.1600
H2O
62
0.7750
0.4460
0.4600
2.5900
H2O
63
0.9980
0.2300
0.4530
3.7300
H2O
64
0.4730
0.7670
0.4510
1.9500
H2O
65
0.9880
0.7620
0.5210
4.1200
H2O
66
0.5000
0.2550
0.5050
2.8000
H2O
67
0.6910
0.0540
0.5340
3.3400
H2O
68
0.2080
0.5470
0.5360
2.9700
H2O