K2Sr4(PO3)10: A Polyphosphate with Deep-UV Cutoff Edge and Enlarged Birefringence

Weimin Dong, Yingjie Sun, Henghao Feng, Dazheng Deng, Jun Jiang, Jin Yang, Wei Guo, Libin Tang, Jincheng Kong*, Jun Zhao*

*Corresponding author for this work

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Abstract

A new polyphosphate K2Sr4(PO3)10 is synthesized by a high-temperature solution method. This compound crystallizes in the triclinic space group of P1 ̅, consisting of the 1D infinite [PO3] chains and K and Sr ions between the chains. Compared with AM2(PO3)5 (A = K, Rb, Cs; M = Ba, Pb), K2Sr4(PO3)10 exhibits a more complex [PO3] chain structure and more diverse metal cationic coordination environment. More importantly, K2Sr4(PO3)10 has both a deep-UV cutoff edge (<200 nm) and a significantly enlarged birefringence. First-principles calculations indicate that the birefringence of K2Sr4(PO3)10 is 0.017 at 1064 nm, about 2 times that of RbBa2(PO3)5 (0.008 at 1064 nm), which reaches a new height among the reported mixed alkali metal and alkaline earth metal phosphate. Theoretical calculations and structural analyses show that the enlarged birefringence of K2Sr4(PO3)10 mainly originates from the [PO3] chains arranged in an inverted zigzag. This discovery introduces a new strategy for devising novel phosphate deep-UV optical crystals with a large birefringence.

Original languageEnglish
Pages (from-to)16215-16221
Number of pages7
JournalInorganic Chemistry
Volume62
Issue number39
DOIs
Publication statusPublished - 2 Oct 2023

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Dong, W., Sun, Y., Feng, H., Deng, D., Jiang, J., Yang, J., Guo, W., Tang, L., Kong, J., & Zhao, J. (2023). K2Sr4(PO3)10: A Polyphosphate with Deep-UV Cutoff Edge and Enlarged Birefringence. Inorganic Chemistry, 62(39), 16215-16221. https://doi.org/10.1021/acs.inorgchem.3c02751