N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7500 | 0.2500 | 0.2362 | 1.4700 | Ba |
2 | 0.2500 | 0.2500 | 0.4671 | 1.3700 | Ba |
3 | 0.2500 | 0.4716 | 0.0078 | 0.8200 | Ba |
4 | 0.6285 | 0.5026 | 0.4758 | 0.7600 | Ti=0.7500, Fe=0.2500 |
5 | 0.4896 | 0.3659 | 0.2062 | 0.4600 | Si |
6 | 0.4736 | 0.6441 | 0.2051 | 0.4900 | Si |
7 | 0.2500 | 0.6585 | 0.2787 | 0.1700 | B |
8 | 0.5087 | 0.2500 | 0.2217 | 1.1400 | O |
9 | 0.5191 | 0.7500 | 0.2656 | 0.8100 | O |
10 | 0.2500 | 0.5754 | 0.4094 | 1.1100 | O |
11 | 0.7500 | 0.5711 | 0.3609 | 2.1100 | O |
12 | 0.5383 | 0.6090 | 0.0162 | 0.7600 | O |
13 | 0.3810 | 0.3994 | 0.3149 | 0.7800 | O |
14 | 0.6066 | 0.4118 | 0.2628 | 0.8600 | O |
15 | 0.3453 | 0.6477 | 0.1458 | 0.8000 | O |
16 | 0.4938 | 0.5718 | 0.3741 | 0.9200 | O |
17 | 0.2500 | 0.7500 | 0.3780 | 0.9000 | O |
18 | 0.2500 | 0.2500 | -0.0049 | 1.6400 | (Cl)=0.9500 |