|
| (100) opt Å | (100) Å | ||||
| Hbond | X | Y | Z | ΔX | ΔY | ΔZ |
| 1 | −19.040 | −2.761 | 20.663 | −0.042 | 0.092 | −0.347 |
| 2 | −18.892 | 4.204 | 20.663 | 0.044 | 0.093 | −0.347 |
| 3 | −19.041 | 11.168 | 20.663 | −0.043 | 0.092 | −0.347 |
| 4 | −7.072 | 2.414 | 11.860 | −0.019 | −0.031 | −0.010 |
| 5 | −13.092 | 3.037 | 10.810 | −0.024 | 0.006 | 0.029 |
| 6 | −12.807 | 10.002 | 10.810 | 0.024 | 0.025 | 0.029 |
| 7 | −18.826 | 9.379 | 11.860 | 0.020 | −0.030 | −0.010 |
| 8 | −13.092 | 16.966 | 10.810 | 0.006 | 0.029 | 0.029 |
| 9 | −19.107 | 16.343 | 11.860 | 0.020 | −0.031 | −0.010 |
| 10 | −24.842 | 10.002 | 10.810 | 0.023 | 0.025 | 0.029 |