N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4350 | 0.1431 | 0.5963 | 0.0000 | K |
2 | 0.1576 | 0.3574 | 0.6907 | 0.0000 | K |
3 | 0.2500 | 0.1765 | 0.0000 | 0.0000 | Fe |
4 | 0.2500 | 0.0643 | 0.0000 | 0.0000 | (C) |
5 | 0.2500 | 0.2915 | 0.0000 | 0.0000 | (C) |
6 | 0.1806 | 0.1774 | 0.8076 | 0.0000 | (C) |
7 | 0.4419 | 0.1778 | 0.9325 | 0.0000 | (C) |
8 | 0.2500 | -0.0053 | 0.0000 | 0.0000 | (N) |
9 | 0.2500 | 0.3598 | 0.0000 | 0.0000 | (N) |
10 | 0.1390 | 0.1748 | 0.6924 | 0.0000 | (N) |
11 | 0.4394 | 0.3219 | 0.6101 | 0.0000 | (N) |
12 | 0.2276 | 0.0242 | 0.5391 | 0.0000 | H2O=0.5000 |
13 | 0.2275 | -0.0272 | 0.5176 | 0.0000 | H=0.5000 |
14 | 0.1702 | 0.0283 | 0.6144 | 0.0000 | H=0.5000 |
15 | 0.0030 | 0.0000 | 0.7750 | 0.0000 | H2O=0.5000 |
16 | 0.0780 | 0.0060 | 0.8300 | 0.0000 | H=0.5000 |
17 | -0.0784 | -0.0214 | 0.8376 | 0.0000 | H=0.5000 |
18 | 0.0190 | -0.0050 | 0.7500 | 0.0000 | H2O=0.5000 |
19 | 0.0690 | -0.0230 | 0.8300 | 0.0000 | H=0.5000 |
20 | 0.0926 | 0.0281 | 0.7042 | 0.0000 | H=0.5000 |