N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3856 | 0.3077 | 0.3761 | 0.0000 | Al=0.2200, Si=0.7800 |
2 | 0.3010 | 0.4107 | 0.5000 | 0.0000 | Al=0.2200, Si=0.7800 |
3 | 0.3882 | 0.1840 | 0.5000 | 0.0000 | Al=0.2200, Si=0.7800 |
4 | 0.2500 | 0.2500 | 0.2500 | 0.0000 | Al=0.2200, Si=0.7800 |
5 | 0.3176 | 0.3042 | 0.3013 | 0.0000 | O |
6 | 0.3720 | 0.2318 | 0.4256 | 0.0000 | O |
7 | 0.3563 | 0.3799 | 0.4247 | 0.0000 | O |
8 | 0.5000 | 0.3162 | 0.3489 | 0.0000 | O |
9 | 0.3153 | 0.1138 | 0.5000 | 0.0000 | O |
10 | 0.3093 | 0.5000 | 0.5000 | 0.0000 | O |
11 | 0.5000 | 0.1506 | 0.5000 | 0.0000 | O |
12 | 0.5000 | 0.0000 | 0.2910 | 0.0000 | Na=0.0300, Mg=0.0200, Ca=0.0400 |
13 | 0.4610 | 0.1220 | 0.3060 | 0.0000 | H2O=0.2100 |
14 | 0.5000 | 0.1300 | 0.3070 | 0.0000 | H2O=0.2500 |
15 | 0.4740 | 0.0000 | 0.4310 | 0.0000 | H2O=0.3400 |
16 | 0.4050 | 0.0000 | 0.3860 | 0.0000 | H2O=0.2600 |
17 | 0.3890 | 0.5000 | 0.3190 | 0.0000 | H2O=0.1900 |
18 | 0.5000 | 0.5000 | 0.3720 | 0.0000 | H2O |
19 | 0.3980 | 0.0940 | 0.3160 | 0.0000 | H2O=0.1500 |
20 | 0.2910 | 0.0580 | 0.2920 | 0.0000 | NH4=0.0900 |
21 | 0.5000 | 0.0900 | 0.2730 | 0.0000 | NH4=0.1200 |
22 | 0.3370 | 0.0280 | 0.2340 | 0.0000 | NH4=0.1100 |
23 | 0.3380 | 0.0680 | 0.3310 | 0.0000 | NH4=0.1500 |