N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0289 | 0.2500 | 0.1400 | Mg=0.9680, Fe=0.0320 |
2 | 0.0000 | 0.0849 | 0.7500 | 0.1600 | Mg=0.9590, Fe=0.0410 |
3 | 0.0000 | 0.1428 | 0.2500 | 0.1800 | Mg=0.9050, Fe=0.0950 |
4 | 0.0000 | 0.2013 | 0.7520 | 0.1500 | Mg=0.9920, Fe=0.0800 |
5 | 0.0000 | 0.2569 | 0.2500 | 0.4300 | Mg=0.8450, Fe=0.1550 |
6 | 0.2909 | 0.0277 | 0.7656 | 0.1800 | Si |
7 | 0.2880 | 0.1359 | 0.7610 | 0.2400 | Si |
8 | 0.2971 | 0.1962 | 0.2630 | 0.2500 | Si |
9 | 0.1153 | 0.0850 | 0.1566 | 0.2300 | (OH) |
10 | 0.3499 | 0.0037 | 0.5413 | 0.4200 | O |
11 | 0.1154 | 0.0278 | 0.6552 | 0.4700 | O |
12 | 0.3449 | 0.0840 | 0.8197 | 0.3300 | O |
13 | 0.1149 | 0.1420 | 0.6555 | 0.4800 | O |
14 | 0.3535 | 0.1713 | 0.0344 | 0.5900 | O |
15 | 0.3523 | 0.1628 | 0.5390 | 0.7600 | O |
16 | 0.1219 | 0.1983 | 0.1536 | 0.4500 | O |
17 | 0.3777 | 0.2474 | 0.3581 | 0.4800 | O |