N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7574 | 0.7500 | 0.1527 | 0.0000 | Ca=0.5900, Mn=0.4100 |
2 | 0.5950 | 0.7500 | 0.4247 | 0.0000 | Ca=0.7100, Sr=0.1900, Ce=0.1000 |
3 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Al=0.7200, Mn=0.1700, Fe=0.1100 |
4 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Al |
5 | 0.2999 | 0.2500 | 0.2193 | 0.0000 | Mn=0.5500, Al=0.1100, Fe=0.3400 |
6 | 0.3433 | 0.7500 | 0.0428 | 0.0000 | Si |
7 | 0.6890 | 0.2500 | 0.2757 | 0.0000 | Si |
8 | 0.1854 | 0.7500 | 0.3193 | 0.0000 | Si |
9 | 0.2368 | 0.9927 | 0.0347 | 0.0000 | O |
10 | 0.3066 | 0.9782 | 0.3545 | 0.0000 | O |
11 | 0.8009 | 0.0143 | 0.3340 | 0.0000 | O |
12 | 0.0563 | 0.2500 | 0.1305 | 0.0000 | O |
13 | 0.0411 | 0.7500 | 0.1492 | 0.0000 | O |
14 | 0.0742 | 0.7500 | 0.4140 | 0.0000 | O |
15 | 0.5170 | 0.7500 | 0.1785 | 0.0000 | O |
16 | 0.5340 | 0.2500 | 0.3201 | 0.0000 | O |
17 | 0.6163 | 0.2500 | 0.0999 | 0.0000 | O |
18 | 0.0885 | 0.2500 | 0.4329 | 0.0000 | OH=0.8700 |
19 | 0.0300 | 0.2500 | 0.3270 | 0.0000 | H=0.8700 |