N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8522 | 0.5900 | 0.1389 | 0.0000 | Mn |
2 | 0.8512 | 0.0895 | 0.1324 | 0.0000 | Mn=0.9470, Ca=0.0530 |
3 | 0.5603 | 0.2548 | 0.3573 | 0.0000 | Na |
4 | 0.2170 | 0.4114 | 0.3474 | 0.0000 | Si |
5 | 0.2060 | 0.9472 | 0.3474 | 0.0000 | Si |
6 | 0.4591 | 0.7392 | 0.1464 | 0.0000 | Si |
7 | 0.6664 | 0.7960 | 0.1090 | 0.0000 | O |
8 | 0.3216 | 0.7070 | 0.9391 | 0.0000 | O |
9 | 0.1785 | 0.4970 | 0.5555 | 0.0000 | O |
10 | 0.1602 | 0.8434 | 0.5580 | 0.0000 | O |
11 | 0.0642 | 0.3936 | 0.1674 | 0.0000 | O |
12 | 0.0524 | 0.8935 | 0.1734 | 0.0000 | O |
13 | 0.4089 | 0.5349 | 0.2766 | 0.0000 | O |
14 | 0.3983 | 0.9109 | 0.2862 | 0.0000 | O |
15 | 0.2581 | 0.1883 | 0.3951 | 0.0000 | O |
16 | 0.1461 | 0.6300 | 0.5520 | 0.0000 | H=0.6900 |
17 | 0.1610 | 0.7050 | 0.5330 | 0.0000 | H=0.3100 |