N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 1.6400 | Mn |
2 | 0.6667 | 0.3333 | 0.2155 | 1.7800 | Mn |
3 | 0.3124 | 0.4243 | 0.0739 | 1.6500 | Mn |
4 | 0.4111 | 0.1116 | 0.1419 | 1.6400 | Mn |
5 | 0.0935 | 0.4750 | 0.2747 | 1.8700 | Al=0.4400, Mg=0.4000, Mn=0.1600 |
6 | 0.2503 | 0.1951 | 0.2765 | 1.4900 | Mn=0.5600, Mg=0.4400 |
7 | 0.0000 | 0.0000 | 0.0809 | 1.4600 | Al=0.5800, Fe=0.1900, Mn=0.2300 |
8 | 0.0000 | 0.0000 | 0.1949 | 1.3600 | As |
9 | 0.0000 | 0.0000 | 0.2422 | 1.2400 | O |
10 | 0.0590 | 0.2181 | 0.1792 | 1.8500 | O |
11 | 0.3333 | 0.6667 | 0.1395 | 1.3800 | As |
12 | 0.1390 | 0.4986 | 0.1134 | 1.4300 | O |
13 | 0.6667 | 0.3333 | 0.0608 | 1.5900 | As |
14 | 0.6667 | 0.3333 | 0.1076 | 0.7100 | O |
15 | 0.6003 | 0.1182 | 0.0449 | 3.0600 | O |
16 | 0.3333 | 0.6667 | 0.0454 | 1.2100 | O |
17 | 0.3333 | 0.6667 | 0.3007 | 2.4100 | O |
18 | 0.0596 | 0.2107 | 0.0468 | 1.7700 | O |
19 | 0.2252 | 0.1778 | 0.1095 | 1.5800 | O |
20 | 0.6316 | 0.1180 | 0.1733 | 1.8400 | O |
21 | 0.2855 | 0.4356 | 0.2474 | 2.2700 | O |
22 | 0.4171 | 0.1243 | 0.2434 | 1.9700 | O |
23 | 0.0538 | 0.2465 | 0.3037 | 1.8000 | O |
24 | 0.5956 | 0.0682 | 0.3088 | 2.2000 | O |