N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3661 | 0.2500 | 0.4360 | 0.0000 | Ca=0.9400, Sr=0.0600 |
2 | 0.4551 | 0.2500 | 0.1118 | 0.0000 | Ca=0.5600, Sr=0.4400 |
3 | 0.2493 | 0.9970 | 0.1840 | 0.0000 | Al |
4 | 0.1070 | 0.7500 | 0.2945 | 0.0000 | Al |
5 | 0.0820 | 0.2500 | 0.0970 | 0.0000 | Si |
6 | 0.4140 | 0.7500 | 0.2790 | 0.0000 | Si |
7 | 0.1580 | 0.2500 | 0.4300 | 0.0000 | Si |
8 | 0.1300 | 0.0050 | 0.1450 | 0.0000 | O |
9 | 0.1050 | 0.0190 | 0.4240 | 0.0000 | O |
10 | 0.3600 | 0.9890 | 0.2410 | 0.0000 | O |
11 | 0.2230 | 0.7500 | 0.2980 | 0.0000 | O |
12 | 0.2286 | 0.2500 | 0.3170 | 0.0000 | O |
13 | 0.2730 | 0.7500 | 0.0660 | 0.0000 | O |
14 | 0.9940 | 0.2500 | 0.1610 | 0.0000 | O |
15 | 0.0040 | 0.7500 | 0.2940 | 0.0000 | O |
16 | 0.4190 | 0.7500 | 0.4450 | 0.0000 | O |
17 | 0.2640 | 0.2500 | 0.0770 | 0.0000 | O |
18 | 0.2600 | 0.2500 | 0.9500 | 0.0000 | H |