N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7164 | 0.0793 | 0.3560 | 0.0000 | Ca |
2 | 0.0940 | 0.1120 | 0.1660 | 0.0000 | Al |
3 | 0.5930 | 0.8660 | 0.1480 | 0.0000 | Al |
4 | 0.4120 | 0.1080 | 0.1810 | 0.0000 | Si |
5 | 0.9090 | 0.8690 | 0.1600 | 0.0000 | Si |
6 | 0.0770 | 0.1680 | 0.9990 | 0.0000 | O |
7 | 0.2610 | 0.0620 | 0.2120 | 0.0000 | O |
8 | 0.4350 | 0.1570 | 0.0270 | 0.0000 | O |
9 | 0.2430 | 0.4060 | 0.3030 | 0.0000 | O |
10 | 0.0060 | 0.9820 | 0.2150 | 0.0000 | O |
11 | 0.0480 | 0.2440 | 0.2540 | 0.0000 | O |
12 | 0.4590 | 0.2310 | 0.2690 | 0.0000 | O |
13 | 0.5050 | 0.9880 | 0.2220 | 0.0000 | O |
14 | 0.2480 | 0.1100 | 0.5020 | 0.0000 | H2O |
15 | 0.5850 | 0.1170 | 0.5520 | 0.0000 | H2O |
16 | 0.9110 | 0.1200 | 0.4920 | 0.0000 | H2O |
17 | 0.8020 | 0.2680 | 0.2460 | 0.0000 | H2O=0.4400 |
18 | 0.7490 | 0.2940 | 0.3920 | 0.0000 | H2O=0.5600 |
19 | 0.7540 | 0.1100 | 0.0100 | 0.0000 | H2O=0.1600 |
20 | 0.7500 | 0.1940 | 0.1680 | 0.0000 | H2O=0.7900 |