N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7580 | 0.7500 | 0.1536 | 1.0700 | Ca |
2 | 0.5975 | 0.7500 | 0.4255 | 1.1300 | Ca=0.8600, Sr=0.1400 |
3 | 0.3414 | 0.7500 | 0.0449 | 0.6800 | Si |
4 | 0.6844 | 0.2500 | 0.2746 | 0.6700 | Si |
5 | 0.1852 | 0.7500 | 0.3194 | 0.7100 | Si |
6 | 0.0000 | 0.0000 | 0.0000 | 0.6100 | Al=0.7750, Mn=0.2250 |
7 | 0.0000 | 0.0000 | 0.5000 | 0.6100 | Al |
8 | 0.2957 | 0.2500 | 0.2215 | 0.5800 | Mn=0.9400, Fe=0.0600 |
9 | 0.2335 | 0.9911 | 0.0354 | 1.0600 | O |
10 | 0.3057 | 0.9788 | 0.3552 | 0.9800 | O |
11 | 0.7967 | 0.0164 | 0.3377 | 0.9000 | O |
12 | 0.0601 | 0.2500 | 0.1322 | 0.7700 | O |
13 | 0.0681 | 0.7500 | 0.4082 | 0.9400 | O |
14 | 0.5147 | 0.7500 | 0.1813 | 0.9800 | O |
15 | 0.5270 | 0.2500 | 0.3141 | 1.1500 | O |
16 | 0.6190 | 0.2500 | 0.0981 | 1.4200 | O |
17 | 0.0865 | 0.2500 | 0.4327 | 0.8400 | O |
18 | 0.0423 | 0.7500 | 0.1468 | 0.9300 | O |
19 | 0.0570 | 0.2500 | 0.3520 | 2.0000 | H |