Effect of the Framework Flexibility on the Centricities in Centrosymmetric In2Zn(Seo3)4 and Noncentrosymmetric Ga2Zn(TeO3)4

被引：46

作者：

Lee, Dong Woo ^{[1
]}

Bak, Dan-bee ^{[2
]}

Kim, Saet Byeol ^{[1
]}

Kim, Jiwon ^{[1
]}

Ok, Kang Min ^{[1
]}

机构：

[1] Chung Ang Univ, Dept Chem, Seoul 156756, South Korea

[2] Chung Ang Univ, Dept Chem Educ, Seoul 156756, South Korea

来源：

INORGANIC CHEMISTRY | 2012年 / 51卷 / 14期

基金：

新加坡国家研究基金会;

关键词：

BOND-VALENCE PARAMETERS; OF-CENTER DISTORTIONS; CRYSTAL-STRUCTURE; METAL SELENITES; ZINC SELENITE; CO; NI; CHEMISTRY; RB; ZN;

D O I：

10.1021/ic300909s

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The solid-state syntheses, crystal structures, and characterization of two stoichiometrically similar quaternary mixed metal selenite and tellurite, In2Zn(Seo(3))(4) and Ga2Zn(TeO3)(4), respectively, are reported. While In2Zn(Seo(3)), crystallizes in the centrosymmetric monoclinic space group P-21/n (No. 14) with a = 8.4331(7) angstrom, b = 4.7819(4) angstrom, c = 14.6583(13) angstrom, and beta = 101.684(6)degrees, Ga2Zn(TeO3)(4) crystallizes in the non-centrosymmetric space group i-43d (No. 220) with a = b = c = 10.5794(8) angstrom. In2Zn(SeO3)(4) exhibits a two-dimensional crystal structure consisting of distorted InO6 octahedra, ZnO6 octahedra, and SeO3 polyhedra. Ga2Zn(TeO3)(4) shows a three-dimensional framework structure that is composed of GaO4 or ZnO, and TeO3 polyhedra. An effect of the framework flexibility on the space group centricity is discussed. The SHG (second harmonic generation) efficiency of noncentrosymmetric Ga2Zn(TeO3)(4), using 1064 nm radiation, is similar to that of KH2PO4 (KDP) and is not phase-matchable (Type 1). Complete characterizations including infrared spectroscopy and thermal analyses for the reported materials are also presented, as are dipole moment calculations.

引用

页码：7844 / 7850

页数：7