N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3578 | 0.2830 | 0.5000 | 1.6800 | Ca=0.7300, Na=0.2300, Mg=0.0300 |
2 | 0.3392 | 0.4083 | 0.0000 | 0.5400 | Si |
3 | 0.6602 | 0.9131 | 0.7931 | 0.5800 | Si=0.3900, Al=0.6100 |
4 | 0.4581 | 0.3481 | 0.0000 | 1.2600 | O |
5 | 0.6867 | 0.8731 | 0.0000 | 1.1600 | O |
6 | 0.3494 | 0.9496 | 0.7928 | 1.4300 | O |
7 | 0.2667 | 0.3656 | 0.8261 | 1.7900 | O |
8 | 0.5070 | 0.3850 | 0.5000 | 3.0000 | O=0.1600 |
9 | 0.6020 | 0.5330 | 0.5000 | 2.8000 | O=0.1600 |
10 | 0.4150 | 0.5350 | 0.5000 | 7.2000 | O=0.1600 |
11 | 0.5996 | 0.5177 | 0.6060 | 2.9000 | O=0.1450 |
12 | 0.4925 | 0.5130 | 0.5000 | 1.5900 | C=0.1700 |
13 | 0.5000 | 0.5000 | 0.5000 | 1.5900 | S=0.2900, Cl=0.0300 |