N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3120 | 0.9050 | 0.2300 | 1.4500 | Y |
2 | -0.0170 | 0.2370 | 0.5340 | 1.8000 | Y |
3 | 0.4970 | 0.3010 | 0.4020 | 1.8600 | Y |
4 | 0.1110 | 0.2320 | 0.2450 | 1.5700 | Si |
5 | 0.2090 | 0.4930 | 0.0390 | 1.3600 | Si |
6 | 0.7410 | 0.0230 | 0.0850 | 1.3300 | Si |
7 | 0.9810 | 0.2600 | 0.3180 | 1.3500 | O |
8 | 0.1190 | 0.0230 | 0.2310 | 1.0100 | O |
9 | 0.3650 | 0.4690 | 0.0180 | 2.0700 | O |
10 | 0.1230 | 0.3350 | 0.1140 | 1.8300 | O |
11 | 0.2300 | 0.3400 | 0.3250 | 1.6300 | O |
12 | 0.3690 | 0.0230 | 0.4140 | 2.0700 | O |
13 | 0.3620 | 0.0120 | 0.0260 | 2.1900 | O |
14 | 0.6900 | 0.1810 | 0.3910 | 0.9900 | O |
15 | 0.7000 | 0.2110 | 0.1430 | 1.6500 | O |
16 | 0.8930 | 0.0420 | 0.0420 | 1.9400 | O |
17 | 0.4400 | 0.1960 | 0.2180 | 1.1400 | OH |