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Unprecedented lattice volume expansion on doping stereochemically active Pb2+ into uniaxially strained structure of CaBa1-xPbxZn2Ga2O7.


ABSTRACT: 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+.

SUBMITTER: Jiang P 

PROVIDER: S-EPMC7066146 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature

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Unprecedented lattice volume expansion on doping stereochemically active Pb<sup>2+</sup> into uniaxially strained structure of CaBa<sub>1-x</sub>Pb<sub>x</sub>Zn<sub>2</sub>Ga<sub>2</sub>O<sub>7</sub>.

Jiang Pengfei P   Neuefeind Joerg C JC   Avdeev Maxim M   Huang Qingzhen Q   Yue Mufei M   Yang Xiaoyan X   Cong Rihong R   Yang Tao T  

Nature communications 20200311 1


Lone pair cations like Pb<sup>2+</sup> 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 Pb<sup>2+</sup> into the polar "114"-type structure of CaBaZn<sub>2</sub>Ga<sub>2</sub>O<sub>7</sub> leads to an unexpected cell volume expansion of CaBa<sub>1-x</sub>Pb<sub>x</sub>Zn<sub>2</  ...[more]

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