N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.9261 | 0.3803 | 0.9196 | 1.3100 | Na=0.7700, Ca=0.2300 |
2 | 0.4228 | 0.1267 | 0.9197 | 1.2000 | Na=0.6100, Ca=0.3900 |
3 | 0.2994 | 0.3924 | 0.0107 | 1.4700 | Na=0.9300, Ca=0.0700 |
4 | 0.4342 | 0.1304 | 0.1782 | 0.8200 | Mn |
5 | 0.9343 | 0.3672 | 0.1783 | 0.7600 | Mn |
6 | 0.8047 | 0.1139 | 0.0139 | 0.7100 | Mn |
7 | 0.2864 | 0.3915 | 0.2689 | 0.5400 | Ti=0.6700, Zr=0.3300 |
8 | 0.7849 | 0.0999 | 0.2518 | 0.5500 | Ti=0.7300, Zr=0.2700 |
9 | 0.6142 | 0.3352 | 0.0836 | 0.5000 | Si |
10 | 0.6175 | 0.3438 | 0.8588 | 0.4900 | Si |
11 | 0.1203 | 0.1641 | 0.0842 | 0.4800 | Si |
12 | 0.1230 | 0.1693 | 0.8588 | 0.4900 | Si |
13 | 0.4808 | 0.2558 | 0.0746 | 1.2000 | O |
14 | 0.6318 | 0.4797 | 0.1425 | 1.0300 | O |
15 | 0.7461 | 0.2411 | 0.1327 | 0.7700 | O |
16 | 0.6160 | 0.3779 | 0.9712 | 1.1200 | O |
17 | 0.4762 | 0.2806 | 0.7943 | 0.8700 | O |
18 | 0.6531 | 0.4871 | 0.8149 | 1.0400 | O |
19 | 0.7405 | 0.2378 | 0.8713 | 0.8100 | O |
20 | 0.9788 | 0.2274 | 0.0741 | 1.0000 | O |
21 | 0.1327 | 0.9994 | 0.1026 | 0.7900 | O |
22 | 0.2410 | 0.2403 | 0.1676 | 0.8400 | O |
23 | 0.1527 | 0.1961 | 0.9792 | 1.0700 | O |
24 | 0.9756 | 0.2212 | 0.8012 | 0.8200 | O |
25 | 0.1545 | 0.0088 | 0.8488 | 0.8400 | O |
26 | 0.2373 | 0.2586 | 0.8341 | 0.9200 | O |
27 | 0.6220 | 0.0205 | 0.2206 | 1.1400 | O |
28 | 0.3795 | 0.9689 | 0.2665 | 1.0700 | O |
29 | 0.6106 | 0.9971 | 0.4470 | 1.4600 | F |
30 | 0.3809 | 0.9835 | 0.0416 | 1.5400 | F |