Fig. 2: Experimental evidence of the interstitial oxygen O5 and the O1−O5 oxide-ion interstitialcy diffusion of Ba7Nb3.9Mo1.1O20.05 at a high temperature of 800 °C. | Nature Communications

Fig. 2: Experimental evidence of the interstitial oxygen O5 and the O1−O5 oxide-ion interstitialcy diffusion of Ba7Nb3.9Mo1.1O20.05 at a high temperature of 800 °C.

From: High oxide-ion conductivity through the interstitial oxygen site in Ba7Nb4MoO20-based hexagonal perovskite related oxides

Fig. 2

a Refined crystal structure and b corresponding yellow isosurface of maximum-entropy method neutron scattering length densities (MEM NSLDs) at 0.36 fm Å−3 of Ba7Nb3.9Mo1.1O20.05 at 800 °C. Refined crystal structure (c) and corresponding MEM NSLD distribution (d) on the ab plane at z = 0 of Ba7Nb3.9Mo1.1O20.05 at 800 °C. In d, the contour lines from 0 to 2 fm Å−3 by the step of 0.2 fm Å−3. Thermal ellipsoids in panels (a) and (c) are drawn at the 90% probability level. Arrows in c denote the directions of oxide-ion O1-to-O5 migration.

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