Growth, Structure, and Properties of a Multifunctional Crystal Pr2CaB10O19

Jingcheng Feng; Youquan Liu; Yanling Cheng; Feidi Fan; Jun Shen; Zheshuai Lin; Heng Tu; Guochun Zhang

doi:10.1021/acs.inorgchem.1c01885

Growth, Structure, and Properties of a Multifunctional Crystal Pr₂CaB₁₀O₁₉

Inorg Chem. 2021 Aug 2;60(15):10895-10898. doi: 10.1021/acs.inorgchem.1c01885. Epub 2021 Jul 20.

Authors

Jingcheng Feng^{1

2}, Youquan Liu^{1

2}, Yanling Cheng³, Feidi Fan¹, Jun Shen¹, Zheshuai Lin¹, Heng Tu^{1

2}, Guochun Zhang^{1

2

3}

Affiliations

¹ Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.
² Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
³ State Key Laboratory of Crystal Materials, Shandong University, Jinan, 250100, People's Republic of China.

PMID: 34283915
DOI: 10.1021/acs.inorgchem.1c01885

Abstract

A new praseodymium-based borate crystal Pr₂CaB₁₀O₁₉ (PCB) has been grown through the high temperature solution method. PCB crystallizes in monoclinic space group C2 with unit cell parameters of a = 10.9475(10) Å, b = 6.5343(7) Å, c = 9.0336(8) Å, β = 91.652(3)°, and Z = 2, in which B₅O₁₂ groups and PrO₁₀ and CaO₈ polyhedra constitute the three-dimensional framework. PCB exhibits a similar second harmonic response intensity to that of La₂CaB₁₀O₁₉ and an intense orange fluorescence emission with a long fluorescence lifetime at about 610 nm excited by a xenon lamp light of 466 nm. The band gap, partial density of states, and birefringence have been investigated via theoretical calculations.