Fig. 2: Structure characterization of oA-La2O2S.
From: Design of metastable oxychalcogenide phases by topochemical (de)intercalation of sulfur in La2O2S2
a Experimental XRD pattern of oA-La2O2S obtained by the reaction of La2O2S2 with Rb0 metal at 350 °C. The Rietveld refinement was conducted using as input the structure predicted by USPEX. b Simulated HAADF-STEM images viewed along [010] and [100] directions obtained using the refined structure of oA-La2O2S. In the projected structure lanthanum, oxygen, and sulfur atoms are represented by white, red, and yellow balls, respectively. c The experimental HAADF-STEM image of oA-La2O2S superimposed by each of the simulated images. Only La atoms were observed as bright spheres (ADF signal is proportional to the nth power of the atomic number, with n~2).
