“…Here we nd that in ThNF, the valence of each element is Q(Th) ¼ +2.3, Q(N) ¼ À1.43, Q(F) ¼ À0.87; and in ThNCl, Q(Th) ¼ +2.38, Q(N) ¼ À1.62, Q(Cl) ¼ À0.76, in agreement with the experimental data by the X-ray photoemission spectra (XPS) very well. 17 The charge analysis of ThNCl and ThNF, as well as ZrNCl, gives rise to their electron localization function and deformation charge density, as shown in Fig. 3.…”