N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7500 | 0.3416 | 0.5000 | 0.7200 | Mg=0.3200, Fe=0.6800 |
2 | 0.7500 | 0.2560 | 0.0000 | 0.6500 | Mg=0.5500, Fe=0.4500 |
3 | 0.7500 | 0.1624 | 0.5000 | 0.6000 | Mg=0.8500, Al=0.1500 |
4 | 0.7500 | 0.0751 | 0.0000 | 0.7000 | Mg=0.7400, Fe=0.2600 |
5 | 0.7500 | 0.4275 | 0.0000 | 0.5300 | Fe |
6 | 0.2500 | 0.4590 | 0.5000 | 1.0200 | Ca |
7 | 0.2500 | 0.0300 | 0.5000 | 1.0600 | Ca |
8 | 0.2500 | 0.2836 | 0.0000 | 1.1700 | Pb=0.4000, Ca=0.6000 |
9 | 0.4620 | 0.0807 | 0.1896 | 0.6000 | Si |
10 | 0.4714 | 0.1690 | 0.6951 | 0.8000 | Si |
11 | 0.4594 | 0.4228 | 0.1800 | 0.7000 | Si |
12 | 0.6320 | 0.4250 | 0.2643 | 0.7000 | O |
13 | 0.6430 | 0.3430 | -0.2230 | 1.1000 | O |
14 | 0.6423 | 0.2517 | 0.2872 | 1.1000 | OH |
15 | 0.6375 | 0.1635 | -0.2236 | 0.7000 | O |
16 | 0.6318 | 0.0807 | 0.2730 | 0.6000 | O |
17 | 0.3800 | 0.4977 | 0.2105 | 1.0000 | O |
18 | 0.4030 | 0.3860 | -0.1200 | 0.9000 | O |
19 | 0.4115 | 0.3630 | 0.3779 | 1.2000 | O |
20 | 0.4151 | 0.2513 | -0.2880 | 1.4000 | O |
21 | 0.4054 | 0.1160 | -0.1156 | 0.9000 | O |
22 | 0.4084 | 0.1363 | 0.3954 | 1.4000 | O |
23 | 0.3839 | 0.0037 | 0.2093 | 1.2000 | O |
24 | 0.4731 | 0.3315 | 0.6894 | 0.1100 | Be |