N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2568 | 0.2513 | 0.2500 | 0.0000 | Al |
2 | 0.7497 | 0.7410 | 0.7510 | 0.0000 | Al |
3 | 0.1193 | 0.8793 | 0.4980 | 0.0000 | Si |
4 | 0.6308 | 0.3718 | 0.5050 | 0.0000 | Al=0.7500, Si=0.2500 |
5 | 0.3718 | 0.8864 | -0.0060 | 0.0000 | Si=0.7500, Al=0.2500 |
6 | 0.8760 | 0.3720 | 0.0090 | 0.0000 | Si |
7 | 0.1980 | 0.1440 | 0.3480 | 0.0000 | O |
8 | 0.6470 | 0.7010 | 0.6420 | 0.0000 | O |
9 | 0.1870 | 0.8300 | 0.3660 | 0.0000 | O |
10 | 0.6610 | 0.3150 | 0.6610 | 0.0000 | O |
11 | 0.3510 | 0.0030 | 0.0320 | 0.0000 | O |
12 | 0.0080 | 0.3500 | -0.0390 | 0.0000 | O |
13 | 0.1500 | -0.0010 | 0.5400 | 0.0000 | O |
14 | -0.0010 | 0.1490 | 0.4740 | 0.0000 | O |
15 | 0.3440 | 0.8150 | 0.1560 | 0.0000 | O |
16 | 0.8140 | 0.3300 | 0.8670 | 0.0000 | O |
17 | 0.8370 | 0.3050 | 0.1250 | 0.0000 | O |
18 | 0.3150 | 0.8500 | 0.8400 | 0.0000 | O |
19 | 0.3270 | 0.0100 | 0.3180 | 0.0000 | Ca=0.2000, K=0.1500 |
20 | 0.5004 | 0.7860 | 0.7110 | 0.0000 | Ca |
21 | 0.2620 | -0.0110 | 0.2640 | 0.0000 | Na=0.6500 |
22 | -0.0010 | 0.2320 | 0.2300 | 0.0000 | Na=0.6000 |
23 | 0.7150 | 0.4970 | 0.7860 | 0.0000 | Na |
24 | -0.0020 | 0.1710 | 0.1730 | 0.0000 | K=0.4000 |
25 | 0.0000 | 0.0000 | -0.0450 | 0.0000 | S |
26 | 0.0180 | -0.0590 | 0.0770 | 0.0000 | O |
27 | -0.0440 | 0.0750 | -0.1360 | 0.0000 | O |
28 | 0.5000 | 0.0000 | 0.4940 | 0.0000 | S |
29 | 0.5160 | 0.1120 | 0.3840 | 0.0000 | O=0.5000 |
30 | 0.4130 | 0.0220 | 0.3890 | 0.0000 | O=0.5000 |
31 | 0.4060 | -0.0680 | 0.5660 | 0.0000 | O |