Figure 2: The structure and chemical valence of ScF3-based solid solutions. | Nature Communications

Figure 2: The structure and chemical valence of ScF3-based solid solutions.

From: Tunable thermal expansion in framework materials through redox intercalation

Figure 2

(a) High-energy synchrotron X-ray diffraction patterns of ScF3, (Sc0.9Fe0.1)F3 and Li0.06(Sc0.9Fe0.1)F3 samples at room temperature. (b) Difference Fourier map of Li0.06(Sc0.9Fe0.1)F3 at room temperature which was obtained by neutron powder diffraction. The negative intensity indicates that lithium ions are at the A-site. (c) ABF image of lithiated region in the Li0.06(Sc0.9Fe0.1)F3. The inset shows the arrangements of atoms. (d) The corresponding ABF in line profile acquired along the line in c. The black arrows mark the fluorine and lithium atomic sites. (e) The corresponding ABF in line profile in (Sc0.9Fe0.1)F3 without Li as a comparison with d. (f,g) Fe K pre-edge peak extraction for the (Sc0.9Fe0.1)F3 and Li0.06(Sc0.9Fe0.1)F3. (h) The comparison of Fe K pre-edge peak for both (Sc0.9Fe0.1)F3 and Li0.06(Sc0.9Fe0.1)F3 after the background subtraction. The ratio Fe3+/∑Fe can be estimated according to the pre-edge centroid and is reduced in Li0.06(Sc0.9Fe0.1)F3 by lithium intercalation.

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