N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1107 | 0.2500 | 0.3523 | 0.0000 | Sr=0.5000 |
2 | 0.4164 | 0.2500 | 0.7175 | 0.0000 | Sr=0.5000 |
3 | 0.2667 | 0.7500 | 0.3916 | 0.0000 | Sr=0.5000 |
4 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Ti=0.5000 |
5 | 0.2989 | 0.4532 | 0.1160 | 0.0000 | Si |
6 | 0.2054 | 0.5470 | 0.7418 | 0.0000 | Si |
7 | 0.0278 | 0.2500 | 0.0033 | 0.0000 | O=0.5000 |
8 | 0.1669 | 0.5289 | 0.1486 | 0.0000 | O |
9 | 0.0665 | 0.5267 | 0.7762 | 0.0000 | O |
10 | 0.2972 | 0.2500 | 0.1691 | 0.0000 | O=0.5000 |
11 | 0.2417 | 0.7500 | 0.7344 | 0.0000 | O=0.5000 |
12 | 0.4108 | 0.5446 | 0.2410 | 0.0000 | O |
13 | 0.2337 | 0.4572 | 0.5698 | 0.0000 | O |
14 | 0.3039 | 0.4610 | 0.9070 | 0.0000 | O |
15 | 0.0283 | 0.7500 | 0.4096 | 0.0000 | H2O=0.5000 |
16 | 0.5077 | 0.2500 | 0.4323 | 0.0000 | H2O=0.5000 |
17 | 0.5210 | 0.2500 | 0.0290 | 0.0000 | H2O=0.1370 |