N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7605 | 0.7500 | 0.1550 | 2.4500 | Ca |
2 | 0.5959 | 0.7500 | 0.4208 | 2.6100 | Ca=0.7990, Sr=0.2010 |
3 | 0.0000 | 0.0000 | 0.0000 | 1.1900 | Al=0.8100, Mn=0.1000, Fe=0.0900 |
4 | 0.0000 | 0.0000 | 0.5000 | 1.2600 | Al |
5 | 0.2945 | 0.2500 | 0.2218 | 1.4000 | Al=0.0590, Mn=0.6700, Fe=0.2710 |
6 | 0.3390 | 0.7500 | 0.0126 | 1.2100 | Si |
7 | 0.6851 | 0.2500 | 0.2757 | 1.2000 | Si |
8 | 0.1841 | 0.7500 | 0.3182 | 1.1600 | Si |
9 | 0.2337 | 0.9882 | 0.0358 | 2.2000 | O |
10 | 0.3035 | 0.9780 | 0.3550 | 2.0000 | O |
11 | 0.7949 | 0.0183 | 0.3411 | 1.7000 | O |
12 | 0.0598 | 0.2500 | 0.1295 | 1.5000 | O |
13 | 0.0433 | 0.7500 | 0.1471 | 1.6000 | O |
14 | 0.0656 | 0.7500 | 0.4050 | 1.8000 | O |
15 | 0.5117 | 0.7500 | 0.1739 | 2.1000 | O |
16 | 0.5250 | 0.2500 | 0.3090 | 2.7000 | O |
17 | 0.6301 | 0.2500 | 0.1031 | 3.6000 | O |
18 | 0.0837 | 0.2500 | 0.4308 | 0.6700 | O |
19 | 0.0550 | 0.2500 | 0.3500 | 1.2000 | H |