N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.2592 | 0.0000 | 1.1200 | Ca |
2 | 0.2870 | 0.0000 | 0.0488 | 1.0600 | Mn |
3 | 0.1329 | 0.3670 | 0.4964 | 0.6100 | Al |
4 | 0.1190 | 0.1292 | 0.7685 | 0.6100 | Al |
5 | 0.0515 | 0.0000 | 0.3308 | 0.6200 | Si |
6 | 0.4664 | 0.0000 | 0.2349 | 0.6600 | P |
7 | 0.2094 | 0.2534 | 0.1948 | 0.5700 | P |
8 | 0.4068 | 0.0000 | 0.3532 | 1.0000 | O |
9 | 0.4045 | 0.0000 | 0.0169 | 1.2300 | O |
10 | -0.0057 | -0.1135 | 0.2474 | 0.8600 | O |
11 | 0.2691 | 0.1472 | 0.2618 | 0.7500 | O |
12 | 0.1629 | 0.2742 | 0.3297 | 1.0200 | O |
13 | 0.2621 | 0.3610 | 0.1893 | 0.9000 | O |
14 | 0.0948 | 0.0000 | -0.4268 | 0.9000 | O |
15 | 0.5228 | -0.1091 | 0.2954 | 0.9100 | O |
16 | 0.1395 | 0.2315 | -0.0145 | 0.8600 | O |
17 | 0.1258 | 0.0000 | 0.2566 | 1.5000 | O |
18 | 0.1770 | 0.5000 | 0.4372 | 0.9100 | O |
19 | 0.0884 | 0.2440 | 0.5809 | 0.8300 | O |
20 | 0.1546 | 0.0000 | -0.0609 | 0.7500 | O |
21 | 0.3390 | 0.5000 | -0.3210 | 0.0000 | H |
22 | 0.6830 | 0.0000 | 0.3570 | 0.0000 | H |
23 | 0.5550 | -0.2260 | 0.5100 | 0.0000 | H |
24 | 0.1520 | 0.0000 | 0.0210 | 0.0000 | H |