Single-crystal growth, structure and luminescence properties of Cs2HfCl3Br3

Shohei Kodama, Shunsuke Kurosawa, Kotaro Fujii, Taito Murakami, Masatomo Yashima, Jan Pejchal, Robert Král, Martin Nikl, Akihiro Yamaji, Masao Yoshino, Satoshi Toyoda, Hiroki Sato, Yuji Ohashi, Kei Kamada, Yuui Yokota, Akira Yoshikawa

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2 Citations (Scopus)


Single crystal of the mixed-halogen compound Cs2HfCl3Br3 was grown by the vertical Bridgman method, and we investigated its crystal structure and optical properties. Single-crystal X-ray diffraction and energy dispersive X-ray spectroscopy analyses indicated the chemical composition to be Cs2Hf(Cl0.578(6)Br0.422(6))6 (= Cs2HfCl3.47(4)Br2.53(4), approximately Cs2Hf(Cl0 58Br0.42)6) where the number in the parentheses denotes the estimated standard deviation in the last digit. Cs2Hf(Cl0.58Br0.42)6 was found to have a cubic Fm3‾m potassium hexachloroplatinate structure consisting of Cs+ cations and Hf(Cl0 . 58Br0.42)6 2− anions. The emission peak of Cs2HfCl3Br3 was red-shifted by Br substitution, and the photoluminescence decays of Cs2HfCl3Br3 were accelerated when compared to those of Cs2HfCl6. Cs2HfCl3Br3 had an emission peak at 450 nm under X-ray irradiation, while under UV-excitation, two photoluminescence emission peaks at 420 and 525 nm were observed. The decay profile of the 420-nm emission band had a single-exponential component with a decay time of 1.95 ± 0.01 μs under the 280-nm-excitation. On the other hand, 525-nm-emisison had two decay components of 0.28 ± 0.03 μs (11%) and 6.54 ± 0.03 μs (89%) under 305-nm-photons excitation.

Original languageEnglish
Article number109942
JournalOptical Materials
Publication statusPublished - 2020 Aug


  • Crystal structure
  • Luminescence
  • Scintillator
  • Single crystal
  • Single-crystal
  • X-ray diffraction

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry
  • Electrical and Electronic Engineering


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