Fig. 4: Structural parameters evolution upon fluorine insertion.
From: Topotactic fluorination of intermetallics as an efficient route towards quantum materials
a Evolution of the a-axis and c-axis parameters versus fluorine site occupancy, from single crystals refinements. The parent compound LaFeSi is also included. Although the fully occupied sample LaFeSiF was not directly obtained, we estimate its c-parameter at 8.64 Å by extrapolation. b Evolution of the La-F bond distance and the La-F-La bond angle, as a function of fluorine content (single crystals X-ray diffraction data). c F content dependence of the anion height hSi above the Fe plane and of the Si-Fe-Si tetrahedral angle α. In the insets of b and c, the definition of the hSi and angle parameters discussed in the b and c graphs are given.
