N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Ca=0.7070, Ba=0.2930 |
2 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Ca |
3 | 0.2273 | 0.0013 | 0.2316 | 0.0000 | Ca |
4 | 0.4118 | 0.1578 | 0.2513 | 0.0000 | Ca |
5 | 0.1734 | 0.3285 | 0.0000 | 0.0000 | Ca |
6 | 0.1672 | 0.3022 | 0.0000 | 0.0000 | Ca |
7 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | Mg |
8 | 0.5000 | 0.0000 | 0.5000 | 0.0000 | Mg |
9 | 0.0807 | 0.2193 | 0.7483 | 0.0000 | Si |
10 | 0.1640 | -0.2355 | 0.0000 | 0.0000 | Si |
11 | 0.3381 | 0.2828 | 0.0000 | 0.0000 | Si |
12 | 0.0248 | 0.2815 | 0.6384 | 0.0000 | O |
13 | 0.0555 | 0.3411 | 0.8702 | 0.0000 | O |
14 | 0.1611 | 0.3104 | 0.7141 | 0.0000 | O |
15 | 0.0887 | -0.0110 | 0.7811 | 0.0000 | O |
16 | 0.1972 | -0.3474 | -0.1201 | 0.0000 | O |
17 | 0.0771 | -0.2735 | 0.0000 | 0.0000 | O |
18 | 0.1947 | -0.0117 | 0.0000 | 0.0000 | O |
19 | 0.2886 | 0.2563 | -0.1220 | 0.0000 | O |
20 | 0.3978 | 0.1042 | 0.0000 | 0.0000 | O |
21 | 0.3763 | 0.4961 | 0.0000 | 0.0000 | O |