N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3333 | 0.6667 | 0.0926 | 2.1000 | N |
2 | 0.3437 | 0.1710 | 0.2747 | 1.0000 | S |
3 | 0.5000 | 0.0000 | 0.0000 | 0.9000 | K |
4 | 0.0000 | 0.0000 | 0.0000 | 0.3000 | Mg |
5 | 0.0000 | 0.0000 | 0.1250 | 1.6000 | Na=0.5000, Mg=0.5000 |
6 | 0.6459 | 0.8210 | 0.0917 | 0.9000 | Na |
7 | 0.5010 | 0.2570 | 0.2754 | 0.9000 | O |
8 | 0.2850 | 0.1280 | 0.3274 | 0.9000 | O |
9 | 0.2870 | 0.2480 | 0.2460 | 0.9000 | O |
10 | 0.3080 | 0.0330 | 0.2420 | 0.9000 | O |
11 | 0.0930 | 0.8950 | 0.1693 | 0.9000 | O |
12 | 0.4170 | 0.7970 | 0.0958 | 0.9000 | O |
13 | 0.7653 | -0.1845 | 0.1889 | 0.0000 | H |
14 | 0.7708 | -0.0299 | 0.1890 | 0.0000 | H |