Table 1. Parameters used for model building according to the geometry indicated in Fig. 2 ▶ .
Coarse | Fine | |||
---|---|---|---|---|
Range | Increment | Range | Increment | |
Inner | ||||
rh1 (Å) | 8–14 | 2 | 9–11 | 1 |
αh1 (°) | 0–360 | s = 4.5 Å | 90–130 | s = 2 Å |
βh1 (°) | 0–45 | 7.5 | 20–40 | 2.5 |
Outer | ||||
αb (°) | 0–72 | 7.2 | 10–25 | 2.5 |
rh2 (Å) | 10–44 | 2 | 20–25 | 1 |
αh2 (°) | 0–360 | s = 4.5 Å | 100–140 | s = 2 Å |
βh2 (°) | 0–45 | 7.5 | 25–35 | 2.5 |