TABLE 2.
Results of MAD analysis (symmetry-related peaks are grouped as one independent peak)
No. | (H,K,L) | |F2| | |F0| | −F0/F2 | r(linear correlation) | ɛ(std of |F2|) | F2 model phase |
---|---|---|---|---|---|---|---|
1 | (0,0,3) | 207.28 | 58.90 | 0.284 | 0.99589 | 6.67 | +1 |
2 | (0,0,6) | 90.62 | 50.60 | −0.558 | −0.98613 | 5.39 | −1 |
3 | (0,0,9) | 99.55 | 50.91 | −0.511 | −0.99816 | 2.14 | −1 |
4 | (0,0,12) | 60.03 | 58.79 | −0.979 | −0.95204 | 6.82 | −1 |
5 | (1,0,1)(−1,1,1)(0,−1,1) | 65.90 | 142.50 | −2.163 | −0.86739 | 7.86 | −1 |
6 | (0,1,2)(−1,0,2) (1,−1,2) | 18.85 | 8.63 | 0.458 | 0.99423 | 0.72 | −1 |
7 | (1,0,4)(−1,1,4)(0,−1,4) | 16.16 | 15.56 | −0.963 | −0.95272 | 1.82 | −1 |
8 | (0,1,5)(−1,0,5) (1,−1,5) | 21.83 | 21.89 | −1.003 | −0.94241 | 2.74 | −1 |
9 | (1,0,7)(−1,1,7)(0,−1,7) | 32.07 | 19.43 | −0.606 | −0.98254 | 2.15 | +1 |
10 | (0,1,8)(−1,0,8) (1,−1,8) | 42.52 | 21.90 | −0.515 | −0.98122 | 2.96 | +1 |
11 | (1,0,10)(−1,1,10)(0,−1,10) | 6.36 | 8.25 | −1.453 | −0.91197 | 1.01 | +1 |
12 | (0,1,11)(−1,0,11) (1,−1,11) | 42.70 | 52.29 | −1.225 | −0.93385 | 5.78 | +1 |