N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1960 | 0.0889 | 0.1550 | 0.0000 | Si |
2 | 0.2100 | 0.1772 | 0.6430 | 0.0000 | Si |
3 | 0.0000 | 0.1010 | 0.5000 | 0.0000 | Mg |
4 | 0.0000 | 0.2010 | 0.0000 | 0.0000 | Mg |
5 | 0.0830 | 0.0000 | 0.5900 | 0.0000 | OH |
6 | 0.0840 | 0.1130 | 0.1980 | 0.0000 | O |
7 | 0.0940 | 0.1890 | 0.6910 | 0.0000 | O |
8 | 0.0890 | 0.2990 | 0.0550 | 0.0000 | H2O |
9 | 0.2220 | 0.0000 | 0.1230 | 0.0000 | O |
10 | 0.2500 | 0.2500 | 0.5000 | 0.0000 | O |
11 | 0.2370 | 0.1070 | 0.4710 | 0.0000 | O |
12 | 0.2390 | 0.1370 | 0.9350 | 0.0000 | O |
13 | 0.0000 | 0.2910 | 0.5000 | 0.0000 | H2O=0.5000 |
14 | -0.0200 | 0.3300 | 0.3630 | 0.0000 | H=0.1300 |
15 | 0.0510 | 0.3180 | 0.4700 | 0.0000 | H=0.3700 |
16 | -0.0370 | 0.4170 | 0.2230 | 0.0000 | H2O=0.5000 |
17 | 0.0820 | 0.4580 | 0.8200 | 0.0000 | H=0.1300 |
18 | 0.0280 | 0.4390 | 0.1900 | 0.0000 | H=0.1300 |
19 | 0.0550 | 0.3690 | 0.6900 | 0.0000 | H=0.3700 |
20 | -0.0530 | 0.4530 | 0.3210 | 0.0000 | H=0.3700 |
21 | 0.1340 | 0.5000 | 0.1500 | 0.0000 | H2O |
22 | 0.1810 | 0.4550 | 0.1700 | 0.0000 | H=0.2600 |
23 | 0.1800 | 0.5000 | 0.0810 | 0.0000 | H=0.7400 |
24 | 0.0910 | 0.4580 | 0.0780 | 0.0000 | H=0.3700 |