Table 1. Average occupancy numbers and displacements of <110> and <111> interstitial O atoms in UO2+x with different x values at different temperatures. v is the displacement in <110> directions and w is in the <111> directions.
Composition | UO2.06 (U32O66) | UO2.13 | UO2.19 | ||
---|---|---|---|---|---|
Temperature | 300 K | 1200 K | 2000 K | 2000 K | 2000 K |
O/O'/O” | 1.97/0.00/0.09 | 1.95/0.05/0.06 | 1.95/0.06/0.05 | 1.89/0.15/0.09 | 1.90/0.19/0.10 |
v <110> | 0.67 ± 0.07 | 0.71 ± 0.18 | 0.74 ± 0.27 | 0.77 ± 0.21 | 0.72 ± 0.24 |
w <111> (Å) | 0.78 ± 0.09 | 0.87 ± 0.19 | 0.90 ± 0.25 | 0.92 ± 0.20 | 0.90 ± 0.24 |