Centrosymmetric Rb[Te2O4(OH)5] and noncentrosymmetric K2[Te3O8(OH)4]: metal tellurates with corner and edge-sharing (Te4O18)12− anion groups

Dandan Wang; Pifu Gong; Xinyuan Zhang; Zheshuai Lin; Zhanggui Hu; Yicheng Wu

doi:10.1039/D2QI00399F

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Centrosymmetric Rb[Te₂O₄(OH)₅] and noncentrosymmetric K₂[Te₃O₈(OH)₄]: metal tellurates with corner and edge-sharing (Te₄O₁₈)¹²⁻ anion groups†

Dandan Wang,

^a Pifu Gong,

^b Xinyuan Zhang,

*^a Zheshuai Lin,

^b Zhanggui Hu*^a and Yicheng Wu^a

Author affiliations

* Corresponding authors

^a Tianjin Key Laboratory of Functional Crystal Materials, Institute of Functional Crystals, Tianjin University of Technology, Tianjin 300384, China
E-mail: xyzhang@email.tjut.edu.cn, hu@mail.ipc.ac.cn

^b Key Laboratory of Functional Crystals and Laser Technology, Beijing Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China

Abstract

New nonlinear optical (NLO) crystals have become an urgent need for extending laser wavelengths. By cation substitution between alkali metal (K⁺, Rb⁺), anion group arrangement transition was realized, and centrosymmetric Rb[Te₂O₄(OH)₅] (RTOH) (monoclinic, P2₁/c) and noncentrosymmetric K₂[Te₃O₈(OH)₄] (KTOH) (orthorhombic, Fdd2) featuring corner/edge-sharing (Te₄O₁₈)¹²⁻ anion groups were successfully synthesized. These two compounds exhibit wide band gaps (>4.0 eV), high thermal stabilities (>290 °C) and suitable birefringences (Δn_exp > 0.04). In addition, KTOH exhibits an SHG response about 0.6 × KDP under 1064 nm fundamental light. First principles calculations were aslo performed, which demonstrated that their optical properties are mainly contributed by the TeO₆⁶⁻ octahedral units.

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Article information

DOI: https://doi.org/10.1039/D2QI00399F
Article type: Research Article
Submitted: 22 Feb 2022
Accepted: 03 Apr 2022
First published: 04 Apr 2022

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Inorg. Chem. Front., 2022,9, 2628-2636

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Centrosymmetric Rb[Te₂O₄(OH)₅] and noncentrosymmetric K₂[Te₃O₈(OH)₄]: metal tellurates with corner and edge-sharing (Te₄O₁₈)¹²⁻ anion groups

D. Wang, P. Gong, X. Zhang, Z. Lin, Z. Hu and Y. Wu, Inorg. Chem. Front., 2022, 9, 2628 DOI: 10.1039/D2QI00399F

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