Table 6 Nearest-neighbour coordination numbers obtained from the fitting of the EXAFS data and from the simulated structures.
EXAFS fit | Equation (2) | Equation (3) | Voronoi | ||
|---|---|---|---|---|---|
\(N^{\mathrm{Fe-Fe}}\) | \(\text {Fe}_{0.93}\text {Zr}_{0.07}\) | 7(2) | 9.6(1) | 10.5(3) | 11.9(4) |
\(\text {Fe}_{0.90}\text {Zr}_{0.10}\) | 8(2) | 9.3(3) | 10.0(2) | 11.2(4) | |
\(\text {Fe}_{0.80}\text {Zr}_{0.20}\) | 7(2) | 7.7(2) | 8.3(2) | 9.1(4) | |
\(N^{\mathrm{Fe-Zr}}\) | \(\text {Fe}_{0.93}\text {Zr}_{0.07}\) | 0.7(2) | 0.9(2) | 1.2(1) | 1.3(1) |
\(\text {Fe}_{0.90}\text {Zr}_{0.10}\) | 1.1(3) | 1.3(1) | 1.8(1) | 1.8(1) | |
\(\text {Fe}_{0.80}\text {Zr}_{0.20}\) | 2.2(5) | 2.5(3) | 3.3(1) | 3.4(1) | |
\(N^{\mathrm{Zr-Zr}}\) | \(\text {Fe}_{0.93}\text {Zr}_{0.07}\) | 1.5(1) | 1.6(2) | ||
\(\text {Fe}_{0.90}\text {Zr}_{0.10}\) | 2.1(2) | 2.2(2) | |||
\(\text {Fe}_{0.80}\text {Zr}_{0.20}\) | 4.1(3) | 4.3(3) |
