N/N | x/a | y/b | z/c | B(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 |