N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8533 | 0.5896 | 0.1394 | 0.0000 | Mn |
2 | 0.8511 | 0.0863 | 0.1310 | 0.0000 | Mn=0.9440, Ca=0.0560 |
3 | 0.5598 | 0.2514 | 0.3582 | 0.0000 | Na |
4 | 0.2152 | 0.4106 | 0.3457 | 0.0000 | Si |
5 | 0.2068 | 0.9442 | 0.3461 | 0.0000 | Si |
6 | 0.4536 | 0.7385 | 0.1442 | 0.0000 | Si |
7 | 0.6657 | 0.7956 | 0.1089 | 0.0000 | O |
8 | 0.3204 | 0.7061 | 0.9395 | 0.0000 | O |
9 | 0.1784 | 0.4970 | 0.5555 | 0.0000 | O |
10 | 0.1596 | 0.8419 | 0.5593 | 0.0000 | O |
11 | 0.0628 | 0.3942 | 0.1667 | 0.0000 | O |
12 | 0.0531 | 0.8922 | 0.1727 | 0.0000 | O |
13 | 0.4082 | 0.5344 | 0.2757 | 0.0000 | O |
14 | 0.3978 | 0.9102 | 0.2871 | 0.0000 | O |
15 | 0.2582 | 0.1886 | 0.3926 | 0.0000 | O |
16 | 0.1486 | 0.6350 | 0.5544 | 0.0000 | H=0.7800 |
17 | 0.1410 | 0.7120 | 0.4980 | 0.0000 | H=0.2200 |