N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1615 | 0.2049 | 0.7500 | 0.0000 | Si |
2 | 0.2921 | 0.4597 | 0.7500 | 0.0000 | Si |
3 | 0.0410 | 0.3350 | 0.7500 | 0.0000 | Si |
4 | 0.2082 | 0.5408 | 0.2500 | 0.0000 | Si |
5 | 0.0345 | 0.2082 | 0.7500 | 0.0000 | Al |
6 | 0.2990 | 0.3330 | 0.7500 | 0.0000 | Al |
7 | 0.1680 | 0.4640 | 0.7500 | 0.0000 | Al |
8 | 0.2090 | 0.6692 | 0.2500 | 0.0000 | Al |
9 | 0.1050 | 0.2150 | 0.7500 | 0.0000 | O |
10 | 0.0600 | 0.2844 | 0.7500 | 0.0000 | O |
11 | 0.1720 | 0.0020 | 0.0200 | 0.0000 | O |
12 | 0.2940 | 0.3990 | 0.7500 | 0.0000 | O |
13 | 0.2110 | 0.2730 | 0.7500 | 0.0000 | O |
14 | 0.6670 | -0.0050 | 0.0210 | 0.0000 | O |
15 | 0.6690 | 0.5060 | 0.5080 | 0.0000 | O |
16 | 0.1060 | 0.3980 | 0.7500 | 0.0000 | O |
17 | 0.2230 | 0.4450 | 0.7500 | 0.0000 | O |
18 | 0.1740 | 0.5110 | 0.9930 | 0.0000 | O |
19 | 0.2200 | 0.6080 | 0.2500 | 0.0000 | O |
20 | 0.2760 | 0.5530 | 0.2500 | 0.0000 | O |
21 | 0.6667 | 0.3333 | 0.7500 | 0.0000 | Ca |
22 | 0.6667 | 0.3333 | 0.2500 | 0.0000 | (Cl) |
23 | 0.3340 | 0.1690 | 0.2500 | 0.0000 | Ca=0.1670 |
24 | 0.3130 | 0.1561 | 0.7500 | 0.0000 | (Cl)=0.1670 |
25 | 0.0520 | 0.1060 | 0.2500 | 0.0000 | Na=0.2800, K=0.1000 |
26 | 0.0680 | 0.1390 | 0.2500 | 0.0000 | Na=0.2400, K=0.1200 |
27 | 0.0910 | 0.1820 | 0.2500 | 0.0000 | Na=0.2000, K=0.0600 |
28 | -0.0180 | 0.0240 | 0.2500 | 0.0000 | (Cl)=0.1667 |
29 | 0.0290 | 0.0470 | 0.2500 | 0.0000 | (Cl)=0.1667 |
30 | 0.3910 | 0.4390 | 0.2500 | 0.0000 | Na |
31 | 0.5870 | 0.4140 | 0.2500 | 0.0000 | Na |
32 | 0.5910 | 0.6830 | 0.2500 | 0.0000 | K |
33 | 0.5290 | 0.5470 | 0.2500 | 0.0000 | (Cl) |