N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.2500 | 0.1250 | 0.0000 | Na |
2 | 0.3047 | 0.5547 | 0.1250 | 0.0000 | Fe=0.9100, Al=0.0900 |
3 | 0.3786 | 0.3977 | 0.1358 | 0.0000 | S |
4 | 0.5000 | 0.2500 | 0.3750 | 0.0000 | (Cl) |
5 | 0.3246 | 0.2326 | 0.3780 | 0.0000 | NH4=0.9730, K=0.0270 |
6 | 0.3844 | 0.4790 | 0.1135 | 0.0000 | O |
7 | 0.3169 | 0.3687 | 0.0722 | 0.0000 | O |
8 | 0.3673 | 0.3874 | 0.2620 | 0.0000 | O |
9 | 0.4481 | 0.3655 | 0.1032 | 0.0000 | O |
10 | 0.2610 | 0.5000 | 0.2500 | 0.0000 | O |
11 | 0.3047 | 0.2833 | 0.3920 | 0.0000 | H=0.9730 |
12 | 0.3695 | 0.2355 | 0.3292 | 0.0000 | H=0.9730 |
13 | 0.3347 | 0.2077 | 0.4527 | 0.0000 | H=0.9730 |
14 | 0.2858 | 0.2040 | 0.3344 | 0.0000 | H=0.9730 |
15 | 0.2117 | 0.5000 | 0.2500 | 0.0000 | H |