N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8511 | 0.2057 | 0.4794 | 0.0000 | Mn=0.9100, Na=0.9000 |
2 | 0.2790 | 0.0680 | 0.4871 | 0.0000 | Mn=0.9000, Zn=0.1000 |
3 | 0.4211 | 0.3512 | 0.4844 | 0.0000 | Mn=0.8500, Zn=0.1500 |
4 | 0.0000 | 0.5000 | 0.5000 | 0.0000 | Mn=0.3300, Zn=0.1700 |
5 | 0.0749 | 0.0818 | 0.1865 | 0.0000 | Nb=0.9000, Ti=0.1000 |
6 | 0.6786 | 0.2745 | 0.2314 | 0.0000 | Si |
7 | 0.8133 | 0.5470 | 0.2526 | 0.0000 | Si |
8 | 0.3765 | 0.6737 | 0.2552 | 0.0000 | Si |
9 | 0.5070 | 0.9296 | 0.2362 | 0.0000 | Si |
10 | 0.0970 | 0.2780 | 0.9950 | 0.0000 | K=0.4100 |
11 | 0.1640 | 0.2754 | 0.9956 | 0.0000 | K=0.4800, Rb=0.0650 |
12 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | Na=0.4500 |
13 | 0.7281 | 0.3194 | 0.3832 | 0.0000 | O |
14 | 0.1460 | 0.1600 | 0.3682 | 0.0000 | O |
15 | 0.1300 | 0.3931 | 0.5949 | 0.0000 | O |
16 | 0.2950 | 0.4631 | 0.3991 | 0.0000 | OH |
17 | 0.9930 | 0.1179 | 0.5944 | 0.0000 | OH |
18 | 0.5590 | 0.2576 | 0.5915 | 0.0000 | O |
19 | 0.5730 | 0.0134 | 0.3865 | 0.0000 | O |
20 | 0.0720 | 0.5915 | 0.2004 | 0.0000 | O |
21 | 0.2500 | 0.0430 | 0.8260 | 0.0000 | O |
22 | 0.4330 | 0.4144 | 0.7988 | 0.0000 | O |
23 | 0.1290 | 0.8030 | 0.8297 | 0.0000 | O |
24 | 0.2670 | 0.9540 | 0.1723 | 0.0000 | O |
25 | 0.2660 | 0.6062 | 0.8075 | 0.0000 | O |
26 | 0.5710 | 0.2206 | 0.8024 | 0.0000 | O |
27 | 0.3850 | 0.1970 | 0.1693 | 0.0000 | O |
28 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | O=0.5000 |