TABLE 4.
EXAFS fit data for select solid samples.
| Solid phase | Path | N | R (Å) | σ2 | ΔE0 | R |
|---|---|---|---|---|---|---|
| ThO2(s, hyd, fresh, T = 22°C) | Th-O1 | 4.8 | 2.38 (2) | 0.004 (3) | 4.8 (10) | 0.015 |
| Th-O2 | 3.0 | 2.54 (3) | 0.004 (3) | 4.8 (10) | ||
| Th-Th | 5.5 | 3.95 (3) | 0.015 (5) | 4.8 (10) | ||
| ThO2(s, hyd, aged, t = 1 m, pHm = 3, T = 80°C) | Th-O1 | 4.8 | 2.37 (3) | 0.003 (1) | 6.7 (15) | 0.020 |
| Th-O2 | 3.4 | 2.53 (4) | 0.003 (1) | 6.7 (15) | ||
| Th-Th | 11.6 | 3.96 (1) | 0.005 (3) | 6.7 (15) | ||
| Th-O3 | 15.0 | 4.58 (4) | 0.008 (1) | 6.7 (15) | ||
| ThO2(s, hyd, aged, t = 1 m, pHm = 12.8, T = 80°C) | Th-O1 | 4.7 | 2.37 (2) | 0.004 (2) | 8.1 (11) | 0.016 |
| Th-O2 | 4.0 | 2.53 (2) | 0.006 (3) | 8.1 (11) | ||
| Th-Th | 12.0 | 3.97 (1) | 0.005 (1) | 8.1 (11) | ||
| Th-O3 | 20.0 | 4.58 (2) | 0.004 (0) | 8.1 (11) | ||
| ThO2(s, hyd, aged, t = 4.5 m, pHm = 12.8, T = 80°C) | Th-O1 | 6.8 | 2.43 (1) | 0.006 (2) | 9.9 (10) | 0.020 |
| Th-Th | 11.4 | 3.96 (1) | 0.005 (1) | 9.9 (10) | ||
| Th-O2 | 17.3 | 4.56 (2) | 0.007 (1) | 9.9 (10) | ||
| ThO2(cr) (Rothe et al., 2002) | Th-O1 | 8.0 | 2.41 (1) | 0.0054 | 2.3 | 0.0241 |
| Th-Th | 12 | 3.98 (2) | 0.0042 | 4.7 | ||
| Th-O2 | 24 | 4.63 (1) | 0.0064 | 6.4 |
Coordination numbers (N), U bond distances (R (Å)), Debye-Waller factors (σ2), shift in energy from calculated Fermi level (ΔE0) and ‘goodness of fit’ factor (R). Coordination numbers were fixed. Numbers in parentheses are the standard deviation on the last decimal place.