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Inorg Chem. 2018 Nov 5;57(21):13087-13091. doi: 10.1021/acs.inorgchem.8b02491. Epub 2018 Oct 9.

A Langbeinite-Type Yttrium Phosphate LiCs2Y2(PO4)3.

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Department of Physics and Electronic Information Engineering , Minjiang University , Fuzhou , Fujian 350108 , China.
Technical Institute of Physics and Chemistry , Chinese Academy of Sciences , Beijing 100190 , China.
State Key Laboratory of Structural Chemistry , Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou , Fujian 350002 , China.


Langbeinite-type inorganic compounds have a wide range of applications, but nonlinear-optical properties are rarely mentioned in this series. Here, we report a new orthophosphate, LiCs2Y2(PO4)3, with a langbeinite-type structure, which is the first example in the system of mixed alkali-metal yttrium phosphates. Notably, LiCs2Y2(PO4)3 exhibits a moderate second-harmonic-generation efficiency of 0.9KH2PO4 and is transparent down to 200 nm. In addition, the thermal stability and theory calculations, including the electronic band structure, second-order nonlinear-optical coefficients, and dipole moment analysis, are also reported. This work not only expands the langbeinite-type system but also inspires a study on their nonlinear-optical properties.

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