N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5033 | 0.2452 | 0.2396 | 0.0200 | Fe=0.2100, Mn=0.7500, Mg=0.0400 |
2 | 0.6625 | -0.0046 | 0.2601 | 0.0100 | Al=0.0700, Fe=0.6800, Ti=0.2500 |
3 | 0.5000 | 0.5000 | 0.0000 | 0.0100 | Ti |
4 | 0.4152 | 0.0894 | 0.2940 | 0.0100 | P |
5 | 0.5892 | 0.4027 | 0.1965 | 0.0100 | P |
6 | 0.1434 | 0.5030 | 0.5970 | 0.0300 | OH=0.6000, F=0.4000 |
7 | 0.7802 | 0.1481 | 0.9454 | 0.0500 | K=0.1600, H2O=0.8400 |
8 | 0.4054 | 0.1629 | 0.2853 | 0.0200 | O |
9 | 0.5333 | 0.0646 | 0.2363 | 0.0200 | O |
10 | 0.4174 | 0.0683 | 0.4119 | 0.0200 | O |
11 | 0.2954 | 0.0616 | 0.2402 | 0.0200 | O |
12 | 0.5939 | 0.3293 | 0.1906 | 0.0200 | O |
13 | 0.4709 | 0.4261 | 0.2581 | 0.0100 | O |
14 | 0.5894 | 0.4307 | 0.0826 | 0.0200 | O |
15 | 0.7087 | 0.4261 | 0.2549 | 0.0200 | O |
16 | 0.6503 | 0.1869 | 0.1761 | 0.0400 | O |
17 | 0.4172 | 0.2401 | 0.0779 | 0.0300 | O |
18 | 0.3544 | 0.3044 | 0.3072 | 0.0300 | O |
19 | 0.5926 | 0.2500 | 0.3962 | 0.0400 | O |
20 | 0.1624 | 0.5050 | 0.9120 | 0.0200 | O |
21 | 0.2394 | 0.1405 | 0.0602 | 0.0500 | O |
22 | 0.0306 | 0.4059 | 0.0091 | 0.0500 | O |
23 | 0.6406 | 0.1483 | 0.1953 | 0.0500 | H |
24 | 0.7500 | 0.1816 | 0.1953 | 0.0500 | H |
25 | 0.3887 | 0.2832 | 0.0820 | 0.0500 | H |
26 | 0.3594 | 0.3495 | 0.3046 | 0.0500 | H |
27 | 0.2773 | 0.3163 | 0.3339 | 0.0500 | H |
28 | 0.6406 | 0.1992 | 0.4180 | 0.0500 | H |
29 | 0.5565 | 0.2500 | 0.4727 | 0.0500 | H |
30 | 0.6406 | 0.0332 | 0.0566 | 0.0500 | H |
31 | 0.7227 | 0.0010 | 0.3887 | 0.0500 | H |
32 | 0.7500 | 0.0096 | 0.3887 | 0.0500 | H |
33 | 0.6934 | 0.1172 | 0.4707 | 0.0500 | H |