New Noncentrosymmetric Tellurite Phosphate Material: Synthesis, Characterization, and Calculations of Te2O(PO4)2

• DOI: 10.1021/ic100706n
• Publication Date: 2010-06-29T18:04:48Z
• Authors: Min Kyung Kim; Sang-Hwan Kim; Hong-Young Chang; P. Shiv Halasyamani; Kang Min Ok
• Keywords: Monoclinic crystal system; Characterization; Tellurium; Space group

A new noncentrosymmetric polar ternary tellurium(IV) oxide phosphate, Te(2)O(PO(4))(2), has been synthesized by a standard solid-state reaction, and the structure was determined single crystal X-ray diffraction. The material shows three-dimensional framework that is composed of slightly distorted TeO(5) square pyramids PO(4) tetrahedra. Within three-, four-, seven-membered ring channels are observed along [100] direction. In addition to structural characterization, second-harmonic generation (SHG) piezoelectric measurements were performed. Powder SHG measurement on using 1064 nm radiation, indicated efficiency approximately 50 x alpha-SiO(2). Converse revealed d(33) value 20 pm V(-1). Thermogravimetric analysis, UV-vis diffuse reflectance, infrared spectroscopy also performed, as electronic calculations. Crystal data: monoclinic, space group Cc (No. 9), with = 5.3819(7) A, b 13.6990(19) c 9.5866(12) V 686.73(16) A(3), Z 4.