N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4592 | 0.0100 | 0.2690 | 0.1400 | Cu |
2 | 0.3746 | 0.0329 | 0.7910 | 0.1400 | Cu |
3 | 0.2925 | 0.0563 | 0.3170 | 0.1400 | Cu |
4 | 0.2518 | 0.3085 | 0.7130 | 0.1900 | Cu |
5 | 0.6408 | 0.1071 | 0.9410 | 0.1200 | Si |
6 | 0.5635 | 0.1239 | 0.4220 | 0.1200 | Si |
7 | 0.4073 | 0.1637 | 0.5050 | 0.1200 | Si |
8 | 0.3323 | 0.1873 | 0.9970 | 0.1200 | Si |
9 | 0.6290 | 0.0280 | 0.9420 | 0.1400 | O |
10 | 0.5450 | 0.0470 | 0.4960 | 0.1100 | O |
11 | 0.3820 | 0.0870 | 0.5040 | 0.1300 | O |
12 | 0.3020 | 0.1120 | 0.9550 | 0.1200 | O |
13 | 0.7240 | 0.1260 | 0.9400 | 0.1700 | O |
14 | 0.5990 | 0.1440 | 0.1730 | 0.1000 | O |
15 | 0.6200 | 0.1400 | 0.6650 | 0.0800 | O |
16 | 0.4930 | 0.1650 | 0.4850 | 0.1000 | O |
17 | 0.3860 | 0.1950 | 0.7690 | 0.0800 | O |
18 | 0.3730 | 0.2040 | 0.2680 | 0.1000 | O |
19 | 0.2720 | 0.2460 | 0.9850 | 0.1100 | O |
20 | 0.4620 | 0.0620 | 0.9810 | 0.1500 | OH |
21 | 0.2870 | 0.0050 | 0.5810 | 0.1600 | OH |
22 | 0.5000 | 0.2500 | 0.9500 | 0.2000 | H2O=0.4300 |