N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7113 | 0.0827 | 0.2500 | 1.5000 | Ca |
2 | 0.5335 | 0.4267 | 0.2500 | 1.2000 | Ca |
3 | 0.3713 | 0.1795 | 0.2500 | 0.7000 | Ca |
4 | 0.6204 | 0.6577 | 0.2500 | 1.0000 | Ca |
5 | 0.7689 | 0.9069 | 0.2500 | 1.0000 | Ca |
6 | 0.9745 | 0.5740 | 0.2500 | 0.9000 | Ca |
7 | 0.3700 | 0.4730 | 0.2500 | 1.2000 | C=0.7000 |
8 | 0.8690 | 0.4710 | 0.2500 | 1.9000 | C=0.8200, Si=0.2000 |
9 | 0.1520 | 0.1120 | 0.2500 | 1.6000 | OH |
10 | 0.7150 | 0.8110 | 0.2500 | 2.2000 | OH |
11 | 0.0770 | 0.3830 | 0.2500 | 0.8000 | OH |
12 | 0.2510 | 0.8580 | 0.2500 | 3.0000 | OH |
13 | 0.0470 | 0.6610 | 0.2500 | 1.2000 | OH |
14 | 0.4050 | 0.2820 | 0.2500 | 1.9000 | OH |
15 | 0.4960 | 0.6320 | 0.2500 | 1.8000 | OH |
16 | 0.3880 | 0.4150 | 0.2500 | 0.2000 | O |
17 | 0.4330 | 0.5010 | 0.2500 | 1.5000 | O |
18 | 0.3050 | 0.4910 | 0.2500 | 4.0000 | O |
19 | 0.9490 | 0.4710 | 0.2500 | 1.9000 | O |
20 | 0.8110 | 0.4260 | 0.2500 | 2.0000 | O=0.7000 |
21 | 0.8440 | 0.5290 | 0.2500 | 1.1000 | O=0.9000 |
22 | 0.3940 | 0.7600 | 0.2500 | 2.0000 | H2O=0.3500 |
23 | 0.1010 | 0.2520 | 0.2500 | 1.0000 | H2O=0.3000 |