Figure 3
Population histograms of the computed Ce2—(O,F,P,Ca,Ce) distances for (a) the Ce2–Si-close model, (b) the Ce2–F model and (c), (d) the two Ce atoms of the 2Ce2–Vac model. Computation details can be found in the supporting information. The number of atoms is counted in intervals of 0.05 Å. |