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Halides are one type of important IR nonlinear-optical material candidate. Here, a mixed alkali metal and d0 transition-metal fluoride, namely, KNa2ZrF7, was obtained by a facile hydrothermal method. It crystallizes in an orthorhombic system with the polar space group Pmn21, and its pseudo-1D structure features isolated (ZrF7)3– moncocapped trigonal prisms, which are ionically linked together by countercations K+ and Na+, representing a new type of fluoride. The powder sample of KNa2ZrF7 exhibits a moderate second-harmonic-generation response and a high laser-induced damage threshold. Besides, it can realize phase matchability and possesses a wide-IR transparent window. Thermal stability analysis suggests that KNa2ZrF7 is a congruent compound. Structural comparisons with related fluorides and theoretical calculations are also presented in this work.
Lian et al. (Tue,) studied this question.
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