Browsing by Author "Neuefeind, JC"

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    Unprecedented lattice volume expansion on doping stereochemically active Pb2+ into uniaxially strained structure of CaBa1−xPbxZn2Ga2O7
    (Springer Nature, 2020-03-11) Jiang, PF; Neuefeind, JC; Avdeev, M; Huang, QZ; Yue, MF; Yang, XY; Cong, RH; Yang, T
    Lone pair cations like Pb2+ are extensively utilized to modify and tune physical properties, such as nonlinear optical property and ferroelectricity, of some specific structures owing to their preference to adopt a local distorted coordination environment. Here we report that the incorporation of Pb2+ into the polar “114”-type structure of CaBaZn2Ga2O7 leads to an unexpected cell volume expansion of CaBa1-xPbxZn2Ga2O7 (0 ≤ x ≤ 1), which is a unique structural phenomenon in solid state chemistry. Structure refinements against neutron diffraction and total scattering data and theoretical calculations demonstrate that the unusual evolution of the unit cell for CaBa1-xPbxZn2Ga2O7 is due to the combination of the high stereochemical activity of Pb2+ with the extremely strained [Zn2Ga2O7]4− framework along the c-axis. The unprecedented cell volume expansion of the CaBa1−xPbxZn2Ga2O7 solid solution in fact is a macroscopic performance of the release of uniaxial strain along c-axis when Ba2+ is replaced with smaller Pb2+. This article is licensed under a Creative Commons Attribution 4.0 International License.