N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.9103 | 0.5064 | 0.3569 | 1.5400 | Na |
2 | 0.3121 | 0.4552 | 0.1928 | 1.7900 | Na |
3 | 0.6890 | 0.2068 | 0.1214 | 0.5500 | Mg |
4 | 0.5000 | 0.5000 | 0.5000 | 0.4900 | Mg |
5 | 0.8328 | 0.4537 | 0.0535 | 0.4900 | S=0.9500 |
6 | 0.5647 | 0.4112 | 0.2335 | 0.4900 | S=0.9500 |
7 | 0.1195 | 0.1195 | 0.1195 | 1.0400 | S=0.9500 |
8 | 0.6210 | 0.0255 | 0.1152 | 1.2800 | O |
9 | 0.7861 | 0.3817 | 0.1269 | 1.5100 | O |
10 | 0.8511 | 0.0657 | 0.4220 | 1.6100 | O |
11 | 0.5255 | 0.0269 | 0.2721 | 2.2700 | O |
12 | 0.6942 | 0.5151 | 0.3116 | 1.0800 | O |
13 | 0.4874 | 0.4095 | 0.3135 | 0.9000 | O |
14 | 0.4977 | 0.4319 | 0.1189 | 0.9600 | O |
15 | 0.5734 | 0.2841 | 0.1942 | 0.8900 | O |
16 | 0.0000 | 0.0000 | 0.0000 | 3.7500 | O |
17 | 0.8120 | 0.2764 | 0.3161 | 1.2200 | O |
18 | 0.8350 | 0.1634 | 0.0701 | 2.5700 | O |
19 | 0.1620 | 0.2367 | 0.0762 | 6.9600 | O |