Abstract

A non–centrosymmetric alkali metal rare earth–based borate K7Li2Y2B15O30 was successfully obtained. The title compound is derived from A7MRe2B15O30 (M ​= ​divalent cations) family by a hetero–valent substitution, meanwhile maintaining the original anionic framework. Li1 atom in K7Li2Y2B15O30 perfectly inherits the divalent cation M site in A7MRe2B15O30; while Li2 atom, in order to compensate the hetero–valent substitution, occupies the general position (Wyckoff 18f) close to Li1 atom, which causes an increase of cell parameters: a and b. Partial occupation of Li1 and Li2, in order to alleviate the direct contact between them, leads to the generation of Li vacancies, in favor of Li transportation. In addition, SHG test indicates that K7Li2Y2B15O30 is an NLO–active material (0.8 ​× ​KDP). The UV–vis–NIR diffuse reflectance spectrum shows high optical reflectance from 244 ​nm to 2500 ​nm. Moreover, the incongruent melting property of K7Li2Y2B15O30 has been studied by differential scanning calorimetric (DSC) and thermogravimetric (TG) curves.

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