N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3668 | 0.2500 | 0.4390 | 0.0000 | Ca=0.9100, Sr=0.0900 |
2 | 0.4554 | 0.2500 | 0.1120 | 0.0000 | Ca=0.3300, Sr=0.6700 |
3 | 0.2500 | 0.9960 | 0.1850 | 0.0000 | Al |
4 | 0.1070 | 0.7500 | 0.2930 | 0.0000 | Al |
5 | 0.0820 | 0.2500 | 0.1000 | 0.0000 | Si |
6 | 0.4110 | 0.7500 | 0.2770 | 0.0000 | Si |
7 | 0.1590 | 0.2500 | 0.4290 | 0.0000 | Si |
8 | 0.1300 | 0.0020 | 0.1480 | 0.0000 | O |
9 | 0.1050 | 0.0240 | 0.4200 | 0.0000 | O |
10 | 0.3640 | 0.9870 | 0.2440 | 0.0000 | O |
11 | 0.2250 | 0.7500 | 0.2980 | 0.0000 | O |
12 | 0.2280 | 0.2500 | 0.3140 | 0.0000 | O |
13 | 0.2720 | 0.7500 | 0.0700 | 0.0000 | O |
14 | 0.9920 | 0.2500 | 0.1530 | 0.0000 | O |
15 | 0.0020 | 0.7500 | 0.2910 | 0.0000 | O |
16 | 0.4170 | 0.7500 | 0.4340 | 0.0000 | O |
17 | 0.2650 | 0.2500 | 0.0750 | 0.0000 | O |
18 | 0.2600 | 0.2500 | 0.9500 | 0.0000 | H |