Journal
INORGANIC CHEMISTRY
Volume 49, Issue 15, Pages 7028-7034Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ic100706n
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Funding
- Ministry of Education, Science Technology [2010-0002480]
- Robert A. Welch Foundation [E-1457]
- ACS PRF [47345-AC10]
- NSF [DMR-0652150]
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A new noncentrosymmetric polar ternary tellurium(IV) oxide phosphate, Te2O(PO4)(2), has been synthesized by a standard solid-state reaction, and the structure was determined by single crystal X-ray diffraction. The material shows a three-dimensional framework structure that is composed of slightly distorted TeO5 square pyramids and PO4 tetrahedra. Within the framework three-, four-, and seven-membered ring channels are observed along the [100] direction. In addition to structural characterization, second-harmonic generation (SHG) and piezoelectric measurements were performed. Powder SHG measurement on the Te2O(PO4)(2), using 1064 nm radiation, indicated the material has a SHG efficiency of approximately 50 x alpha-SiO2. Converse piezoelectric measurements revealed a d(33) value of 20 pm V-1. Thermogravimetric analysis, UV-vis diffuse reflectance, and infrared spectroscopy were also performed, as were electronic structure calculations. Crystal data: Te2O(PO4)(2), monoclinic, space group Cc (No. 9), with a = 5.3819(7) angstrom, b= 13.6990(19) angstrom, c = 9.5866(12) angstrom, V = 686.73(16) angstrom(3), and Z = 4.
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