N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4421 | 0.2315 | 0.7500 | 0.0000 | Na=0.6610 |
2 | -0.0029 | 0.2500 | 0.5000 | 0.0000 | Na=0.9200 |
3 | -0.0040 | 0.1410 | 0.5789 | 0.0000 | Rb=0.1000 |
4 | 0.4970 | 0.2500 | 0.5000 | 0.0000 | Zr |
5 | 0.7741 | 0.3862 | 0.6462 | 0.0000 | Si |
6 | 0.5055 | 0.0475 | 0.6422 | 0.0000 | Si |
7 | 0.2193 | 0.3909 | 0.6446 | 0.0000 | Si |
8 | 0.9961 | 0.4040 | 0.6383 | 0.0000 | O |
9 | 0.7207 | 0.3560 | 0.7500 | 0.0000 | O |
10 | 0.7092 | 0.3091 | 0.5775 | 0.0000 | O |
11 | 0.6782 | 0.4846 | 0.6250 | 0.0000 | O |
12 | 0.5181 | 0.0727 | 0.7500 | 0.0000 | O |
13 | 0.4929 | 0.1395 | 0.5872 | 0.0000 | O |
14 | 0.3086 | 0.4892 | 0.6148 | 0.0000 | O |
15 | 0.2808 | 0.3723 | 0.7500 | 0.0000 | O |
16 | 0.2897 | 0.3097 | 0.5816 | 0.0000 | O |
17 | 0.0088 | 0.1145 | 0.5805 | 0.0000 | H2O=0.9100 |
18 | 0.1251 | 0.1869 | 0.7500 | 0.0000 | H2O=0.6700 |
19 | 0.0140 | 0.1760 | 0.7970 | 0.0000 | H2O=0.1000 |