N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5561 | 0.2539 | 0.3524 | 0.0000 | Na |
2 | 0.8522 | 0.5940 | 0.1364 | 0.0000 | Mn=0.9440 |
3 | 0.8496 | 0.0840 | 0.1331 | 0.0000 | Mn=0.9890 |
4 | 0.2159 | 0.4024 | 0.3411 | 0.0000 | Si |
5 | 0.2058 | 0.9525 | 0.3509 | 0.0000 | Si |
6 | 0.4540 | 0.7390 | 0.1431 | 0.0000 | Si |
7 | 0.1790 | 0.6210 | 0.5330 | 0.0000 | H |
8 | 0.6633 | 0.7961 | 0.1151 | 0.0000 | O |
9 | 0.3229 | 0.7097 | 0.9437 | 0.0000 | O |
10 | 0.1807 | 0.4954 | 0.5528 | 0.0000 | O |
11 | 0.1587 | 0.8460 | 0.5562 | 0.0000 | O |
12 | 0.0612 | 0.3906 | 0.1678 | 0.0000 | O |
13 | 0.0527 | 0.8932 | 0.1723 | 0.0000 | O |
14 | 0.4070 | 0.5336 | 0.2737 | 0.0000 | O |
15 | 0.3962 | 0.9057 | 0.2886 | 0.0000 | O |
16 | 0.2604 | 0.1903 | 0.3935 | 0.0000 | O |