N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2360 | 0.0861 | 0.7800 | 0.0000 | Si |
2 | 0.2100 | 0.1663 | 0.3120 | 0.0000 | Si |
3 | 0.0000 | 0.0868 | 0.5000 | 0.0000 | Mg |
4 | 0.0000 | 0.1770 | 0.0000 | 0.0000 | Mg |
5 | 0.0600 | 0.0000 | 0.2770 | 0.0000 | OH |
6 | 0.1090 | 0.1040 | 0.7850 | 0.0000 | O |
7 | 0.0820 | 0.1715 | 0.3410 | 0.0000 | O |
8 | 0.0790 | 0.2720 | 0.8780 | 0.0000 | H2O |
9 | 0.2750 | 0.0000 | 0.8270 | 0.0000 | O |
10 | 0.2500 | 0.2500 | 0.2290 | 0.0000 | O |
11 | 0.2840 | 0.1372 | 0.5480 | 0.0000 | O |
12 | 0.2140 | 0.1056 | 0.0790 | 0.0000 | O |
13 | 0.0640 | 0.3650 | 0.2160 | 0.0000 | H2O=0.5000 |
14 | 0.0810 | 0.4110 | 0.2600 | 0.0000 | H=0.3300 |
15 | -0.0850 | 0.3780 | 0.9800 | 0.0000 | H=0.3300 |
16 | 0.1400 | 0.3520 | 0.2600 | 0.0000 | H=0.1700 |
17 | -0.0410 | 0.3190 | 0.8500 | 0.0000 | H=0.1700 |
18 | 0.1480 | 0.5000 | 0.3330 | 0.0000 | H2O |
19 | 0.1980 | 0.4600 | 0.2580 | 0.0000 | H=0.6600 |
20 | 0.2080 | 0.5000 | 0.2100 | 0.0000 | H=0.3500 |
21 | 0.1850 | 0.5000 | 0.4920 | 0.0000 | H=0.3500 |
22 | 0.0000 | 0.4870 | 0.0000 | 0.0000 | H2O=0.5000 |
23 | 0.0430 | 0.4890 | 0.1220 | 0.0000 | H=0.2500 |
24 | 0.0130 | 0.4440 | 0.0700 | 0.0000 | H=0.2500 |