N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | -0.7602 | 0.7500 | 0.1521 | 0.0000 | Ca=0.6100, Mn=0.3900 |
2 | 0.5934 | 0.7500 | 0.4281 | 0.0000 | La=0.4600, Nd=0.3900, Ca=0.1500 |
3 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | V=0.5800, Fe=0.3400, Ti=0.0800 |
4 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Al=0.9200, Fe=0.0800 |
5 | 0.3091 | 0.2500 | 0.2119 | 0.0000 | Fe=0.6400, Mn=0.3000, Mg=0.0600 |
6 | 0.3446 | 0.7500 | 0.0356 | 0.0000 | Si |
7 | 0.6905 | 0.2500 | 0.2806 | 0.0000 | Si |
8 | 0.1913 | 0.7500 | 0.3257 | 0.0000 | Si |
9 | 0.2401 | 0.9884 | 0.0242 | 0.0000 | O |
10 | 0.3159 | 0.9702 | 0.3652 | 0.0000 | O |
11 | 0.8002 | 0.0140 | 0.3330 | 0.0000 | O |
12 | 0.0590 | 0.2500 | 0.1373 | 0.0000 | O |
13 | 0.0510 | 0.7500 | 0.1572 | 0.0000 | O |
14 | 0.0755 | 0.7500 | 0.4168 | 0.0000 | O |
15 | 0.5126 | 0.7500 | 0.1761 | 0.0000 | O |
16 | 0.5498 | 0.2500 | 0.3406 | 0.0000 | O |
17 | 0.6057 | 0.2500 | 0.1037 | 0.0000 | O |
18 | 0.0895 | 0.2500 | 0.4307 | 0.0000 | O |
19 | 0.0720 | 0.2500 | 0.3280 | 0.0000 | H |