N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2500 | 0.1034 | 0.8538 | 1.8000 | Zn |
2 | 0.2500 | 0.4149 | 0.2255 | 1.4100 | Mn |
3 | 0.0000 | 0.2500 | 0.0879 | 1.0800 | Fe |
4 | 0.0000 | 0.2500 | 0.5770 | 1.5700 | Fe |
5 | 0.2500 | 0.1871 | 0.3272 | 0.6700 | Fe |
6 | 0.0303 | 0.1199 | 0.1427 | 0.6900 | P |
7 | 0.0240 | 0.3282 | 0.0600 | 1.4000 | O |
8 | 0.0670 | 0.4153 | 0.2280 | 1.1000 | O |
9 | 0.0910 | 0.0917 | 0.9570 | 1.6000 | O |
10 | 0.1220 | 0.1320 | 0.3200 | 1.2000 | O |
11 | 0.2500 | 0.2169 | 0.8248 | 0.5300 | P |
12 | 0.2500 | 0.1820 | 0.0220 | 0.6000 | O |
13 | 0.2500 | 0.1788 | 0.6360 | 0.7000 | O |
14 | 0.1360 | 0.2505 | 0.8250 | 1.2000 | O |
15 | 0.1240 | 0.2430 | 0.3290 | 1.5000 | OH |
16 | 0.0260 | 0.3329 | 0.6180 | 1.1000 | H2O |
17 | 0.2500 | 0.3451 | 0.4370 | 1.1000 | H2O |
18 | 0.2500 | 0.3623 | 0.9520 | 2.0000 | H2O |
19 | 0.2500 | 0.4614 | 0.5170 | 1.4000 | H2O |
20 | 0.2500 | 0.4882 | 0.0380 | 2.0000 | H2O |
21 | 0.2500 | 0.0659 | 0.5840 | 2.9000 | H2O |
22 | 0.0540 | 0.4815 | 0.7630 | 2.0000 | H2O |