N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.9900 | Fe |
2 | 0.5000 | 0.2549 | 0.7563 | 0.9600 | Ca |
3 | 0.2723 | 0.9920 | 0.7152 | 0.6900 | Si |
4 | 0.5000 | 0.2184 | 0.2564 | 0.7700 | Si |
5 | 0.0000 | 0.0000 | 0.5000 | 0.1900 | Na |
6 | 0.2407 | 0.2334 | 0.0207 | 1.6100 | Na |
7 | 0.5000 | 0.0000 | 0.0000 | 3.9700 | Na |
8 | 0.0000 | 0.1990 | 0.9350 | 2.0400 | O |
9 | 0.1280 | 0.3760 | 0.7550 | 2.3800 | O |
10 | 0.5000 | 0.2900 | 0.0730 | 1.5000 | O |
11 | 0.3640 | 0.4440 | 0.6970 | 1.6800 | O |
12 | 0.3290 | 0.1210 | 0.7870 | 1.9400 | O |
13 | 0.2400 | 0.0000 | 0.5000 | 2.8900 | O |