N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7605 | 0.7500 | 0.1545 | 1.0400 | Ca |
2 | 0.5971 | 0.7500 | 0.4242 | 1.0400 | Ca=0.6990, Sr=0.3010 |
3 | 0.3424 | 0.7500 | 0.0447 | 0.6900 | Si |
4 | 0.6856 | 0.2500 | 0.2757 | 0.6800 | Si |
5 | 0.1840 | 0.7500 | 0.3187 | 0.7500 | Si |
6 | 0.0000 | 0.0000 | 0.0000 | 0.5800 | Al=0.6240, Mn=0.3760 |
7 | 0.0000 | 0.0000 | 0.5000 | 0.5700 | Al |
8 | 0.2961 | 0.2500 | 0.2212 | 0.6300 | Mn=0.6400, Fe=0.3300, Al=0.0300 |
9 | 0.2357 | 0.9915 | 0.0372 | 1.1100 | O |
10 | 0.3039 | 0.9791 | 0.3540 | 1.0000 | O |
11 | 0.7972 | 0.0163 | 0.3391 | 0.8500 | O |
12 | 0.0595 | 0.2500 | 0.1318 | 0.8100 | O |
13 | 0.0681 | 0.7500 | 0.4081 | 0.8900 | O |
14 | 0.5160 | 0.7500 | 0.1782 | 1.0500 | O |
15 | 0.5267 | 0.2500 | 0.3131 | 1.1000 | O |
16 | 0.6235 | 0.2500 | 0.1004 | 1.4400 | O |
17 | 0.0851 | 0.2500 | 0.4321 | 0.8700 | O |
18 | 0.0416 | 0.7500 | 0.1486 | 1.0000 | O |
19 | 0.0500 | 0.2500 | 0.3520 | 2.0000 | H |