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- Title
Unprecedented lattice volume expansion on doping stereochemically active Pb2+ into uniaxially strained structure of CaBa1−xPbxZn2Ga2O7.
- Authors
Jiang, Pengfei; Neuefeind, Joerg C.; Avdeev, Maxim; Huang, Qingzhen; Yue, Mufei; Yang, Xiaoyan; Cong, Rihong; Yang, Tao
- 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+. Lone pair cations can impart interesting features in some structures, such as noncentrosymmetry. Here the authors show unexpected cell volume expansion in a polar "114"-type oxide upon replacing Ba2+ with a smaller Pb2+, and attribute it to high stereochemical activity of Pb2+ with the strained framework.
- Subjects
SOLID solutions; SOLID state chemistry; NONBONDING electron pairs; CELL size; DIFFRACTIVE scattering; NEUTRON diffraction
- Publication
Nature Communications, 2020, Vol 11, Issue 1, p1
- ISSN
2041-1723
- Publication type
Article
- DOI
10.1038/s41467-020-14759-2