Table 3. Values of R0 and b in Å for Li−O Bonds using Different Cut-Off Distances.
R0 | b | cut-off | ΔVa | remarks |
---|---|---|---|---|
1.466 | 0.37 | 2.67 | 0.07 | R0 fitted to assumed value of b, ref (41) |
1.33 | 0.44 | 2.67 | 0.06 | Refined by least-squares, ref (79) |
1.1525 | 0.515 | 4.2+ | 0.04 | Refined by least-squares, ref (79) |
ΔV is the mean deviation of the bond valence sum from the atomic valence of Li+.