N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1411 | 0.1146 | 0.3365 | 3.0500 | Fe |
2 | 0.4684 | 0.6182 | 0.2434 | 3.0500 | Fe |
3 | 0.2633 | 0.2813 | 0.9573 | 1.4000 | S |
4 | 0.1281 | 0.5732 | 0.7901 | 1.3000 | S |
5 | 0.4462 | 0.0771 | 0.7623 | 1.4000 | S |
6 | 0.0840 | 0.3136 | 0.9720 | 2.3000 | O |
7 | 0.4080 | 0.2843 | 0.1640 | 2.6000 | O |
8 | 0.1860 | 0.2210 | 0.8710 | 2.5000 | O |
9 | 0.3930 | 0.3072 | 0.8100 | 2.2000 | O |
10 | 0.2290 | 0.5288 | 0.7010 | 2.7000 | O |
11 | 0.0590 | 0.6112 | 0.6370 | 2.4000 | O |
12 | 0.0510 | 0.4498 | 0.1190 | 2.0000 | O |
13 | 0.3010 | 0.6071 | 0.9600 | 2.9000 | O |
14 | 0.3340 | 0.0316 | 0.8520 | 2.8000 | O |
15 | 0.4390 | 0.8790 | 0.0720 | 2.5000 | O |
16 | 0.4000 | 0.9444 | 0.3560 | 2.5000 | O |
17 | 0.2740 | 0.1022 | 0.6200 | 2.7000 | O |
18 | 0.0520 | 0.1860 | 0.4530 | 2.4000 | H2O |
19 | 0.4310 | 0.1533 | 0.2920 | 2.9000 | H2O |
20 | 0.0100 | 0.1325 | 0.0450 | 2.0000 | H2O |
21 | 0.2000 | 0.0390 | 0.2100 | 2.3000 | H2O |
22 | 0.1600 | 0.9277 | 0.6530 | 2.8000 | H2O |
23 | 0.2830 | 0.4228 | 0.8170 | 2.4000 | H2O |
24 | 0.2320 | 0.6591 | 0.3430 | 1.8000 | H2O |
25 | 0.3720 | 0.3699 | 0.4490 | 2.2000 | H2O |
26 | 0.3330 | 0.5419 | 0.3220 | 2.7000 | H2O |
27 | 0.3660 | 0.7854 | 0.3700 | 3.9000 | H2O |
28 | 0.1790 | 0.7506 | 0.7940 | 3.6000 | H2O |