Fig. 5: Evolution of Ba/Pb−O bond lengths and Ba/Pb displacements. | Nature Communications

Fig. 5: Evolution of Ba/Pb−O bond lengths and Ba/Pb displacements.

From: Unprecedented lattice volume expansion on doping stereochemically active Pb2+ into uniaxially strained structure of CaBa1−xPbxZn2Ga2O7

Fig. 5: Evolution of Ba/Pb−O bond lengths and Ba/Pb displacements.

Plots of Pb2+/Ba2+−O1 bond lengths a, Pb2+/Ba2+−O3 and average < Pb2+/Ba2+−O > bond lengths b, and average Pb2+/Ba2+ displacement distance c against the Pb content in CaBa1−xPbxZn2Ga2O7. The inset shows the coordination environment of Ba2+/Pb2+ in CaBa1−xPbxZn2Ga2O7 (0 < x < 1) obtained from Rietveld refinements against XRD data with the P63mc model, where a highly anisotropic thermal motion along c axis can be visually observed. For x = 0, 0.5, and 1, the parameters are obtained from combined Rietveld refinement against both XRD and ND data. Source data are provided as a Source Data file.

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