N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1608 | 0.3954 | 0.4670 | 0.7900 | O |
2 | 0.3045 | 0.1938 | 0.0030 | 0.8800 | O |
3 | 0.1797 | 0.2472 | 0.9540 | 0.3000 | O |
4 | 0.2915 | 0.3271 | 0.9530 | 0.3100 | O |
5 | 0.0394 | 0.3228 | 0.9910 | 0.6200 | O |
6 | 0.0643 | 0.1852 | 0.4450 | 0.5200 | O |
7 | 0.4104 | 0.1291 | 0.5040 | 0.7500 | O |
8 | 0.0816 | 0.0301 | 0.7640 | 0.5000 | O |
9 | 0.3078 | 0.4569 | 0.4640 | 0.5700 | O |
10 | 0.3143 | 0.0351 | 0.9980 | 0.6800 | O |
11 | 0.1870 | 0.0918 | 0.4700 | 0.5700 | O |
12 | 0.4556 | 0.3914 | 0.7720 | 0.6800 | O |
13 | 0.4335 | 0.2744 | 0.4840 | 0.7000 | O |
14 | 0.0000 | 0.5000 | 0.9430 | 10.1600 | (Cl)=0.4000 |
15 | 0.4259 | 0.1984 | 0.9990 | 0.5300 | Mg |
16 | 0.2985 | 0.1089 | 0.4980 | 0.2900 | Mg |
17 | 0.3596 | 0.3601 | 0.4470 | 0.7100 | Mg |
18 | 0.1265 | 0.1430 | 0.9560 | 0.4700 | Mg |
19 | 0.2295 | 0.4303 | 0.9600 | 0.4800 | Mg |
20 | 0.1108 | 0.2929 | 0.4700 | 0.5200 | Mg |
21 | 0.0000 | 0.0000 | 0.2300 | 0.8900 | Mg |
22 | 0.2582 | 0.2555 | 0.9680 | 0.4600 | B |
23 | 0.1527 | 0.0245 | 0.5850 | 0.4600 | B |
24 | 0.4869 | 0.3275 | 0.6020 | 0.5100 | B |
25 | 0.1140 | 0.4260 | 0.4600 | 2.0000 | H |
26 | 0.0260 | 0.3780 | 0.9760 | 2.0000 | H |
27 | 0.0580 | 0.5830 | 0.5130 | 2.0000 | H |
28 | 0.1300 | 0.5250 | 0.9840 | 2.0000 | H |