N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7500 | 0.6570 | 0.2500 | 0.6100 | Fe=0.7790, Al=0.2210 |
2 | 0.7500 | 0.8499 | 0.7500 | 0.4100 | Fe=0.1710, Al=0.8290 |
3 | 0.7500 | 0.0524 | 0.2500 | 1.5000 | Ca=0.2850, Na=0.7150 |
4 | 0.7500 | 0.4530 | 0.7500 | 1.1900 | Ca=0.6990, Na=0.3010 |
5 | 0.0402 | 0.8472 | 0.2298 | 0.5700 | Si |
6 | 0.0381 | 0.6651 | 0.7354 | 0.5400 | Si |
7 | 0.8655 | 0.8410 | 0.1223 | 0.8300 | O |
8 | 0.8622 | 0.6804 | 0.6561 | 0.8900 | O |
9 | 0.1154 | 0.0091 | 0.3095 | 0.9300 | O |
10 | 0.1039 | 0.5007 | 0.8052 | 1.1200 | O |
11 | 0.1077 | 0.7660 | 0.0082 | 0.9300 | O |
12 | 0.0969 | 0.7430 | 0.5019 | 0.8700 | O |