N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8490 | 0.2053 | 0.4796 | 0.0000 | Fe=0.8550, Ca=0.0350, Pb=0.0100 |
2 | 0.2804 | 0.0673 | 0.4895 | 0.0000 | Fe |
3 | 0.4225 | 0.3518 | 0.4848 | 0.0000 | Fe=0.5500, Mn=0.4500 |
4 | 0.0000 | 0.5000 | 0.5000 | 0.0000 | Fe=0.8300, Sn=0.0900, Mg=0.0800 |
5 | 0.0781 | 0.0856 | 0.1976 | 0.0000 | Ti=0.7800, Nb=0.1200, Zr=0.1000 |
6 | 0.6767 | 0.2703 | 0.2308 | 0.0000 | Si=0.9810, Al=0.0190 |
7 | 0.8144 | 0.5467 | 0.2564 | 0.0000 | Si=0.9810, Al=0.0190 |
8 | 0.3802 | 0.6767 | 0.2584 | 0.0000 | Si=0.9810, Al=0.0190 |
9 | 0.5049 | 0.9309 | 0.2347 | 0.0000 | Si=0.9810, Al=0.0190 |
10 | 0.1464 | 0.2860 | 0.9977 | 0.0000 | K=0.3750, Li=0.0700, Cs=0.0550 |
11 | 0.0870 | 0.1770 | 0.0000 | 0.0000 | Li=0.5000 |
12 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | Na=0.7800, Ca=0.2200 |
13 | 0.7252 | 0.3158 | 0.3840 | 0.0000 | O |
14 | 0.1462 | 0.1600 | 0.3723 | 0.0000 | O |
15 | 0.1261 | 0.3895 | 0.5902 | 0.0000 | O |
16 | 0.2998 | 0.4626 | 0.4003 | 0.0000 | O |
17 | 0.9913 | 0.1171 | 0.5917 | 0.0000 | O |
18 | 0.5571 | 0.2554 | 0.5872 | 0.0000 | O |
19 | 0.5730 | 0.0162 | 0.3885 | 0.0000 | O |
20 | 0.0749 | 0.5898 | 0.2025 | 0.0000 | O |
21 | 0.2491 | 0.0421 | 0.8303 | 0.0000 | O |
22 | 0.4273 | 0.4131 | 0.7972 | 0.0000 | O |
23 | 0.1266 | 0.8075 | 0.8317 | 0.0000 | O |
24 | 0.2610 | 0.9557 | 0.1696 | 0.0000 | O |
25 | 0.2706 | 0.6062 | 0.8033 | 0.0000 | O |
26 | 0.5742 | 0.2211 | 0.8002 | 0.0000 | O |
27 | 0.3820 | 0.1889 | 0.1664 | 0.0000 | O |
28 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | F |
29 | 0.2100 | 0.4160 | 0.3090 | 0.0000 | H |
30 | 0.0500 | 0.1670 | 0.6860 | 0.0000 | H |