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Synthesis and Structure of KPbBP 2 O 8 – A Congruent Melting Borophosphate with Nonlinear Optical Properties
Author(s) -
Li Hongyi,
Zhao Yi,
Pan Shilie,
Wu Hongping,
Yu Hongwei,
Zhang Fangfang,
Yang Zhihua,
Poeppelmeier Kenneth R.
Publication year - 2013
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201300009
Subject(s) - chemistry , tetragonal crystal system , crystallography , second harmonic generation , crystal structure , spectroscopy , stoichiometry , tetrahedron , infrared spectroscopy , single crystal , crystal (programming language) , ring (chemistry) , bar (unit) , laser , optics , programming language , physics , organic chemistry , quantum mechanics , computer science , meteorology
For the first time, single crystals of KPbBP 2 O 8 with sizes up to 18 × 13 × 6 mm have been grown from a stoichiometric mixture of its components by the top seed growth method. The crystal structure was determined from single‐crystal X‐ray data: tetragonal, space group I $\bar {4}$ 2 d , a = 7.1464(7) Å, c = 13.8917(16) Å, Z = 4. It exhibits an isolated [BP 2 O 8 ] 3– unit that is built from nearly ideal tetrahedral BO 4 and PO 4 groups, which are connected to each other alternatively by corner‐sharing O atoms to make a 12‐membered ring. Transmission spectroscopy illustrates that the UV cutoff edge is at approximately 235 nm. Furthermore, IR spectroscopy, thermal analysis, and second‐harmonic generation (SHG) measurements were also performed on the reported material.