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Abrupt Structural Transformation in Asymmetric ABPO4F (A = K, Rb, Cs)
Qingran Ding1,2, Sangen Zhao1, Lina Li1
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter , Chinese Academy of Sciences , Fuzhou , Fujian 350002 , China.
Inorganic Chemistry
|January 18, 2019
Summary
Two new asymmetric compounds, RbBPO4F and CsBPO4F, exhibit a 3D structure, unlike the 2D layered structure of KBPO4F. This transformation, driven by alkaline ionic radii, offers insights into modulating asymmetric materials for nonlinear optics.
Area of Science:
- Materials Science
- Solid-State Chemistry
- Crystallography
Background:
- Asymmetric structures are crucial for second-order nonlinear-optical (NLO) materials.
- NLO materials are vital for modern scientific and technological applications.
Purpose of the Study:
- To report two novel isostructural asymmetric compounds: RbBPO4F and CsBPO4F.
- To investigate the structural transformation from 2D to 3D structures in these compounds.
- To understand the influence of alkaline ionic radii on structural modulation.
Main Methods:
- Crystallization of RbBPO4F and CsBPO4F.
- X-ray diffraction analysis to determine crystal structures.
- Comparative structural analysis with KBPO4F.
Main Results:
- RbBPO4F and CsBPO4F were synthesized and found to be isostructural, crystallizing in cubic P2(1)3 space group with 3D gismondine-like structures.
- Both compounds feature BO3F and PO4 structural units, distinct from the 2D layered structure of KBPO4F (monoclinic Cc space group).
- A structural transformation from 2D to 3D was observed, attributed to differences in alkaline ionic radii.
Conclusions:
- The study reports the first instance of an abrupt structural transformation in all-inorganic asymmetric compounds induced by alkaline elements.
- The 2D to 3D structural transformation is beneficial for suppressing layered growth habits.
- This research provides significant insights into the structural modulation of asymmetric compounds for NLO applications.
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