N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3346 | 0.0705 | 0.2519 | 0.3600 | Ti=0.8700, Zr=0.1300 |
2 | 0.2202 | 0.9274 | 0.5133 | 0.6200 | Ca |
3 | 0.1452 | 0.2832 | 0.5070 | 0.6400 | Ca |
4 | 0.0726 | 0.6383 | 0.5001 | 0.5800 | Ca |
5 | 0.0000 | 0.0000 | 0.5000 | 0.6000 | Ca |
6 | 0.0000 | 0.0712 | 0.2500 | 2.5200 | K |
7 | 0.6140 | 0.2655 | 0.3606 | 0.4600 | Si |
8 | 0.4310 | 0.3239 | 0.3600 | 0.4600 | Si |
9 | 0.3692 | 0.6354 | 0.3595 | 0.4700 | Si |
10 | 0.4915 | 0.8798 | 0.3606 | 0.4600 | Si |
11 | 0.6741 | 0.8151 | 0.3593 | 0.4600 | Si |
12 | 0.7385 | 0.5078 | 0.3623 | 0.4600 | Si |
13 | 0.6586 | 0.4025 | 0.3452 | 1.0500 | O |
14 | 0.6595 | 0.2238 | 0.4412 | 0.7800 | O |
15 | 0.6125 | 0.1442 | 0.3083 | 0.8300 | O |
16 | 0.5150 | 0.3099 | 0.3405 | 0.9400 | O |
17 | 0.3528 | 0.2401 | 0.3057 | 0.8100 | O |
18 | 0.4530 | 0.2834 | 0.4396 | 0.9100 | O |
19 | 0.4104 | 0.4884 | 0.3515 | 1.2300 | O |
20 | 0.2738 | 0.6532 | 0.3041 | 0.8900 | O |
21 | 0.3791 | 0.6511 | 0.4387 | 0.9200 | O |
22 | 0.4273 | 0.7486 | 0.3406 | 0.9500 | O |
23 | 0.5208 | 0.9200 | 0.4414 | 0.8000 | O |
24 | 0.4490 | 0.0046 | 0.3085 | 0.7500 | O |
25 | 0.5729 | 0.8206 | 0.3456 | 1.0700 | O |
26 | 0.7290 | 0.8529 | 0.4389 | 0.8900 | O |
27 | 0.6954 | 0.9063 | 0.3042 | 0.8100 | O |
28 | 0.6923 | 0.6570 | 0.3445 | 1.0300 | O |
29 | 0.7856 | 0.4759 | 0.3105 | 0.7900 | O |
30 | 0.8009 | 0.4988 | 0.4430 | 0.8700 | O |
31 | 0.1020 | 0.0691 | 0.4595 | 1.1400 | F |
32 | 0.5000 | 0.0843 | 0.2500 | 0.9000 | Li |
33 | 0.2465 | 0.3181 | 0.2488 | 1.0000 | Li |