A new noncentrosymmetric vanadoborate: synthesis, crystal structure and characterization of K2SrVB5O12.
A new noncentrosymmetric vanadoborate compound, K(2)SrVB(5)O(12), is synthesized by the high temperature solution method. It crystallizes in the monoclinic space group P2(1) (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 Sr(2+) 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 K(2)SrVB(5)O(12) is similar to that of KH(2)PO(4) (KDP).
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.
Songjie
S
Chen
Shilie
S
Pan
Wenwu
W
Zhao
Hongwei
H
Yu
Hongping
H
Wu
Zhihua
Z
Yang
Yun
Y
Yang