Two Ultraviolet Optical Crystals K6B12O19F4 and K12B28O48: The Effects of Metal Cations Size and the F Ions on the Structure

Shuzhao Huang; Liang Zhu; Ivan Kruglov; Yun Yang; Zhihua Yang; Shilie Pan

doi:10.1021/acs.inorgchem.3c00519

Two Ultraviolet Optical Crystals K₆B₁₂O₁₉F₄ and K₁₂B₂₈O₄₈: The Effects of Metal Cations Size and the F Ions on the Structure

Inorg Chem. 2023 May 22;62(20):7599-7604. doi: 10.1021/acs.inorgchem.3c00519. Epub 2023 May 9.

Authors

Shuzhao Huang^{1

2}, Liang Zhu^{1

2}, Ivan Kruglov^{1

3}, Yun Yang^{1

2}, Zhihua Yang^{1

2}, Shilie Pan^{1

2}

Affiliations

¹ CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China.
² Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China.
³ Moscow Institute of Physics and Technology, 9 Institutsky Lane, Dolgoprudny 141700, Russia.

PMID: 37158437
DOI: 10.1021/acs.inorgchem.3c00519

Abstract

Borates and fluorooxoborates are advanced optical materials with great potential applications in the ultraviolet (UV) and deep ultraviolet (DUV) regions. Herein, two new UV optical crystals K₆B₁₂O₁₉F₄ and K₁₂B₂₈O₄₈ were synthesized. Among them, K₆B₁₂O₁₉F₄ has a rare disorder of BO₃ and BO₄ units, which is the first time this disordered type has been found in fluorooxoborates. In this paper, the properties of K₆B₁₂O₁₉F₄ and K₁₂B₂₈O₄₈ were tested and calculated, and their crystal structures and structural evolution were carefully analyzed. In addition, the effects of metal cations size and F ions on the crystal structure were analyzed. This research enriches the structural chemistry of borates and fluorooxoborates, and provides experience for the design of new UV optical crystals.