N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7867 | 0.7956 | 0.7765 | 1.4000 | Cu |
2 | 0.5482 | 0.3924 | 0.1191 | 0.6500 | Fe |
3 | 0.2962 | 0.9852 | 0.4553 | 0.7600 | Fe |
4 | 0.4101 | 0.6672 | 0.3893 | 0.5500 | V |
5 | 0.8333 | 0.7393 | 0.2755 | 0.5300 | V |
6 | 0.7710 | 0.1259 | 0.0913 | 0.5200 | V |
7 | 0.0000 | 0.5000 | 0.5000 | 4.4400 | Na |
8 | 0.0234 | 0.5509 | 0.9840 | 2.8000 | Na=0.5000 |
9 | 0.4450 | 0.8570 | 0.4201 | 0.6200 | O |
10 | 0.4821 | 0.3502 | 0.3713 | 0.9300 | O |
11 | 0.8014 | 0.5556 | 0.2637 | 1.1100 | O |
12 | 0.2201 | 0.1642 | 0.5035 | 0.8600 | O |
13 | 0.2729 | 0.0075 | 0.1599 | 1.0200 | O |
14 | 0.4729 | 0.5794 | 0.1701 | 0.8200 | O |
15 | 0.7287 | 0.7421 | 0.0244 | 1.0000 | O |
16 | 0.0552 | 0.8210 | 0.3184 | 1.2400 | O |
17 | 0.1981 | 0.5800 | 0.3385 | 1.6500 | O |
18 | 0.9907 | 0.2365 | 0.1897 | 1.4600 | O |
19 | 0.7176 | 0.0361 | 0.2674 | 1.2200 | O |
20 | 0.6592 | 0.2444 | 0.0678 | 1.2500 | O |