N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3675 | 0.2500 | 0.4397 | 0.0000 | Ca |
2 | 0.4521 | 0.2500 | 0.1168 | 0.0000 | Ca |
3 | 0.2497 | 0.9981 | 0.1908 | 0.0000 | Al |
4 | 0.1057 | 0.7500 | 0.3022 | 0.0000 | Al |
5 | 0.4118 | 0.7500 | 0.2848 | 0.0000 | Si |
6 | 0.0815 | 0.2500 | 0.1039 | 0.0000 | Si |
7 | 0.1607 | 0.2500 | 0.4356 | 0.0000 | Si |
8 | 0.1313 | 0.0017 | 0.1431 | 0.0000 | O |
9 | 0.1009 | 0.0128 | 0.4302 | 0.0000 | O |
10 | 0.3592 | 0.9913 | 0.2473 | 0.0000 | O |
11 | 0.2175 | 0.7500 | 0.2985 | 0.0000 | O |
12 | 0.2275 | 0.2500 | 0.3127 | 0.0000 | O |
13 | 0.2731 | 0.7500 | 0.0608 | 0.0000 | O |
14 | 0.9926 | 0.2500 | 0.1635 | 0.0000 | O |
15 | 0.9969 | 0.7500 | 0.2927 | 0.0000 | O |
16 | 0.4227 | 0.7500 | 0.4440 | 0.0000 | O |
17 | 0.2713 | 0.2500 | 0.0774 | 0.0000 | OH |
18 | 0.2715 | 0.2500 | 0.9843 | 0.0000 | H |