Abstract
A new compound with mixed valence of tellurium, namely, NaYTe2O7 has been successfully synthesized by the high−temperature solid state reaction through adopting substitution strategy. This compound crystallizes in the monoclinic space group of P21/n, and features two−dimensional [Te2O7]4− layer which is composed of TeVIO6 octahedra and TeIVO4 dispheniods. The anionic layers stack along [101] direction and interlinked by Y3+ and Na+ cations. The opposite arranged active lone pairs of TeIV and the layered anionic structure together induce the large birefringence which is estimated to be 0.18 at 1000 nm by first−principle calculation. This result indicates that the proper arrangement of lone pairs and directional covalent structure favor the increase of crystal’s birefringence. Furthermore, optical diffuse reflectance spectrum, infrared spectrum, thermal analysis and DFT calculations were also accomplished.
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