N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.4200 | Mn |
2 | 0.0000 | 0.0000 | 0.5000 | 0.4300 | Mn |
3 | 0.0000 | 0.5000 | 0.0000 | 0.4600 | Mn |
4 | 0.0000 | 0.5000 | 0.5000 | 2.4000 | Mg=0.5400, Mn=0.0500 |
5 | 0.1189 | 0.1703 | 0.2480 | 0.5100 | Mg=0.9180, Mn=0.0820 |
6 | 0.1289 | 0.3935 | 0.0000 | 0.4900 | Mn |
7 | 0.1064 | 0.3973 | 0.5000 | 0.9800 | Mn=0.4480 |
8 | 0.1440 | 0.3961 | 0.5000 | 4.8000 | Mn=0.2600 |
9 | 0.0646 | 0.4043 | 0.5000 | 3.3000 | Fe=0.2920 |
10 | 0.2529 | 0.2753 | 0.0000 | 0.5100 | Mn |
11 | 0.2503 | 0.2820 | 0.5000 | 0.7900 | Mg=0.5700, Mn=0.4300 |
12 | 0.3722 | 0.1160 | 0.2476 | 0.5500 | Mg=0.7330, Mn=0.1200, Fe=0.1470 |
13 | 0.3726 | 0.3948 | 0.2488 | 0.4900 | Mg=0.7750, Mn=0.0780, Fe=0.1470 |
14 | 0.9821 | 0.2446 | 0.0000 | 0.4000 | B |
15 | 0.9816 | 0.2471 | 0.5000 | 0.8400 | B |
16 | 0.2367 | 0.0318 | 0.0000 | 0.6400 | B |
17 | 0.2318 | 0.0443 | 0.5000 | 0.5900 | B |
18 | 0.0662 | 0.0306 | 0.2504 | 0.7100 | O |
19 | 0.0564 | 0.2416 | 0.0000 | 0.7800 | O |
20 | 0.0577 | 0.2442 | 0.5000 | 0.7500 | O |
21 | 0.0731 | 0.4685 | 0.2148 | 0.8100 | O |
22 | 0.1947 | 0.1234 | 0.0000 | 0.8600 | O |
23 | 0.1926 | 0.1369 | 0.5000 | 0.7300 | O |
24 | 0.1802 | 0.3152 | 0.2221 | 0.8700 | O |
25 | 0.3125 | 0.0407 | 0.0000 | 0.9200 | O |
26 | 0.3070 | 0.0468 | 0.5000 | 0.7700 | O |
27 | 0.3189 | 0.2530 | 0.2379 | 0.8400 | O |
28 | 0.3038 | 0.4466 | 0.0000 | 0.7900 | O |
29 | 0.2977 | 0.4352 | 0.5000 | 0.7200 | O |
30 | 0.4463 | 0.1566 | 0.0000 | 0.8500 | O |
31 | 0.4445 | 0.1595 | 0.5000 | 0.6700 | O |
32 | 0.4443 | 0.3471 | 0.0000 | 0.7400 | O |
33 | 0.4423 | 0.3489 | 0.5000 | 0.6400 | O |