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Updated: Sep 10, 2025
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Published on: April 11, 2014
K5NaZr4F22(H2O)2: A Hydrated Zirconium Fluoride with a Second-Harmonic Generation Effect and a Short Ultraviolet
Bing-Wei Miao1, Guo-Ren Zhu1, Ling Wang1
1School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, Jiangsu 225002, P. R. China.
Abstract:
The development of nonlinear optical (NLO) crystal materials with short ultraviolet cutoff edges is of great significance to laser applications and industrial development. Based on acentric AE-M-F22 (Sr5Zr3F22 (1), Ca5Zr3F22 (2), and Ca5Hf3F22 (3), with AE = alkaline earth metal and M = Zr, Hf), a novel hydrated zirconium-based fluoride, K5NaZr4F22(H2O)2 (4), was obtained through a cosubstitution strategy involving mixed alkali metal cations. K5NaZr4F22(H2O)2 crystallizes in the C2 space group and presents a unique three-dimensional {[Zr4F22(H2O)2]6-}∞ anion framework composed of hydrogen-bonded {[Zr4F23(H2O)2]7-}∞ chains. 1-4 exhibit phase-matched second-harmonic generation (SHG) responses and short ultraviolet cutoff edges. This work has brought about a novel structure of zirconium fluoride and enriched the family of NLO zirconium/hafnium fluorides.
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