Rare-Earth Scandium Borate Fluoride with a Deep-Ultraviolet Cutoff Edge

Qianzhen Zhang; Ran An; Abudukadi Tudi; Zhihua Yang; Xifa Long; Yun Yang

doi:10.1021/acs.inorgchem.3c02367

Rare-Earth Scandium Borate Fluoride with a Deep-Ultraviolet Cutoff Edge

Inorg Chem. 2023 Sep 18;62(37):15206-15214. doi: 10.1021/acs.inorgchem.3c02367. Epub 2023 Sep 4.

Authors

Qianzhen Zhang^{1

2}, Ran An^{1

2}, Abudukadi Tudi^{1

2}, Zhihua Yang^{1

2}, Xifa Long^{1

2}, Yun Yang^{1

2}

Affiliations

¹ Research Center for Crystal Materials, 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.

PMID: 37665686
DOI: 10.1021/acs.inorgchem.3c02367

Abstract

Through reasonable selections of raw materials and experimental methods, a new rare-earth borate fluoride K₁₁Sc₅(B₅O₁₀)₄F₆ is synthesized successfully by the high-temperature solution method in a closed system, which is the first noncentrosymmetric scandium borate fluoride. It crystallizes in the Fdd2 space group of the orthorhombic crystal system and features an extremely complicated structure constructed by the fundamental building blocks [B₅O₁₀] units, Sc-based, and K-based polyhedra. To our knowledge, K₁₁Sc₅(B₅O₁₀)₄F₆ is the only rare-earth borate that contains two kinds of [B₅O₁₀] groups and crystallizes in the Fdd2 space group, enriching the structural chemistry of rare-earth borates and rare-earth borate fluorides. Additionally, it is discussed in detail how F can significantly improve performance by modifying the modules in a comparison of structures. Discussion on rational synthetic conditions is instructive for obtaining rare-earth borate fluorides. Furthermore, a short cutoff edge (<190 nm) is experimentally confirmed, indicating the potential application of K₁₁Sc₅(B₅O₁₀)₄F₆ in ultraviolet/deep-ultraviolet regions.