Table 4. Detailed specification of incident beam and Bi-I unit cell parameters determined from the integrated diffraction patterns.
Cell parameter refinements were performed using REFINE (Bartelmehs & Downs, 1996 ▸) after determining the diffraction peak position using the program PeakFit. Volume is given per unit cell of Bi-I. The refinement of the cell parameters for the cold and hot states of Bi-I in diffraction patterns R0427 and R0425 are based on the three strongest diffraction peaks, resulting in an underestimation of the errors of the cell parameters, pressure and temperature. For the refinements of R0431 and R0442 all reflections shown in Fig. 13 ▸(a) are used, resulting in more realistic error estimation.
| Cell parameters | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Run No. | Pulse | Transmission (%) | Diode PD2 (ADUs) | HED-XGM (µJ) | a (Å) | c (Å) | V (Å3) | Diffraction P (GPa) | Diffraction T (K) | Liquid peak (Å−1) |
| R0431 | 1 | 3% | 2268 | 700 | 4.509 (1) | 11.605 (3) | 204.31 (9) | 1.49 (1) | ||
| R0442 | 1 | 3% | 2863 | 650 | 4.511 (1) | 11.624 (5) | 204.9 (1) | 1.38 (2) | ||
| R0424 | 1 | 1% | 311 | 690 | 4.506 (2) | 11.574 (5) | 203.5 (1) | 1.66 (2) | ||
| 2 | 1270 | None | ||||||||
| R0427 | 1 | 3% | 739 | 700 | 4.5007 (9) | 11.593 (7) | 203.36 (7) | 1.68 (1) | ||
| 2 | 831 | 4.5068 (1) | 11.6750 (9) | 205.36 (1) | 552 (6) K† | Weak | ||||
| R0425 | 1 | 5% | 2787 | 580 | 4.5043 (8) | 11.5924 (4) | 203.684 (5) | 1.619 (1) | ||
| 2 | 3884 | 4.5078 (2) | 11.689 (1) | 205.67 (1) | 551 (2) K† | 13.35 (1) | ||||
| R0428 | 1 | 10% | 8517 | 690 | 4.5048 (7) | 11.575 (3) | 203.41 (5) | 1.67 (1) | ||
| 2 | 6425 | All melt | 13.35 (3) | |||||||
†
Temperature is estimated from the thermal expansion of Bi-I phase collected at 5 K and ambient pressure by Fischer et al. (1978 ▸).