A new noncentrosymmetric vanadoborate: synthesis, crystal structure and characterization of K2SrVB5O12

Songjie Chen; Shilie Pan; Wenwu Zhao; Hongwei Yu; Hongping Wu; Zhihua Yang; Yun Yang

doi:10.1039/C2DT30608E

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A new noncentrosymmetric vanadoborate: synthesis, crystal structure and characterization of K₂SrVB₅O₁₂†

Songjie Chen,^ab Shilie Pan,*^a Wenwu Zhao,^ab Hongwei Yu,^ab Hongping Wu,^a Zhihua Yang^a and Yun Yang^a

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* Corresponding authors

^a Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011, China
E-mail: slpan@ms.xjb.ac.cn
Fax: +(86)-991-3838957
Tel: +(86)-991-3674558

^b Graduate School of the Chinese Academy of Sciences, Beijing 100049, China
Fax: +(86)-991-3838957
Tel: +(86)-991-3674558

Abstract

A new noncentrosymmetric vanadoborate compound, K₂SrVB₅O₁₂, is synthesized by the high temperature solution method. It crystallizes in the monoclinic space group P2₁ (no. 4) with lattice constants a = 6.618(3) Å, b = 8.378(4) Å, c = 9.974(5) Å, β = 99.789(6)°, Z = 2. The structure consists of vanadoborate anionic layers with K⁺ and Sr²⁺ cations filling the void spaces via electrostatic interactions to form the three-dimensional network. The TG–DSC curves and the UV-Vis-NIR diffuse reflectance spectrum were measured. Band structures and density of states were calculated. The powder second harmonic generation (SHG) effect of K₂SrVB₅O₁₂ is similar to that of KH₂PO₄ (KDP).

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Article information

DOI: https://doi.org/10.1039/C2DT30608E
Article type: Paper
Submitted: 17 Mar 2012
Accepted: 17 May 2012
First published: 17 May 2012

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Dalton Trans., 2012,41, 9202-9208

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A new noncentrosymmetric vanadoborate: synthesis, crystal structure and characterization of K₂SrVB₅O₁₂

S. Chen, S. Pan, W. Zhao, H. Yu, H. Wu, Z. Yang and Y. Yang, Dalton Trans., 2012, 41, 9202 DOI: 10.1039/C2DT30608E

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Dalton Transactions