Article Flux crystal growth, structure, and optical properties of non-centrosymmetric oxysulfides Ln3Ga3Ge2S3O10 (Ln = La, Ce, Pr, Nd)

Hong Yan ; Kotaro Fujii ; Yoshitaka Matsushita SAMURAI ORCID ; Masatomo Yashima ORCID ; Kazunari Yamaura SAMURAI ORCID ; Yoshihiro Tsujimoto SAMURAI ORCID

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Hong Yan, Kotaro Fujii, Yoshitaka Matsushita, Masatomo Yashima, Kazunari Yamaura, Yoshihiro Tsujimoto. Flux crystal growth, structure, and optical properties of non-centrosymmetric oxysulfides Ln3Ga3Ge2S3O10 (Ln = La, Ce, Pr, Nd). Dalton Transactions. 2025, 54 (26), 10433-10440. https://doi.org/10.1039/d5dt01100k

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(abstract)

Single crystals of the non-centrosymmetric oxysulfides Ln3Ga3Ge2S3O10 (Ln = La, Ce, Pr, Nd) in a hexagonal space group P-62c were grown by a flux crystal growth method using a eutectic BaCl2–NaCl molten salt. Single-crystal X-ray diffraction analysis of them revealed that the Ga and Ge atoms were located on the 6g and 4f sites, which were tetrahedrally coordinated with two O and two S atoms, and four O atoms, respectively. In the structure, the GaS2O2 and GeO4 tetrahedra form 1∞[Ga3S3O3] triangular tubes and Ge2O7 tetrahedral dimers aligned along the c axis, which are surrounded by LaS2O6 square prisms in the ab plane. Neutron powder diffraction studies on polycrystalline samples of La3Ga3Ge2S3O10, and Nd3Ga3Ge2S3O10 which were prepared by high-temperature solid state reactions supported the Ga/Ge cation order determined by the single-crystal structure analysis. UV-vis-NIR absorption spectra revealed band gaps larger than 4.60 eV for La3Ga3Ge2S3O10, Pr3Ga3Ge2S3O10, and Nd3Ga3Ge2S3O10, while Ce3Ga3Ge2S3O10 was found to have a small band gap value of 3.51 eV because of Ce-4f1 electronic configuration.

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Keyword: flux crystal growth, oxysulfide, nonlinear optical materials, bandgap engineering

Date published: 2025-06-12

Publisher: Royal Society of Chemistry (RSC)

Journal:

  • Dalton Transactions (ISSN: 14779226) vol. 54 issue. 26 p. 10433-10440

Funding:

  • Japan Society for the Promotion of Science 25K01657
  • Japan Society for the Promotion of Science 25H01652
  • Japan Society for the Promotion of Science JPJSBP120237714
  • Japan Society for the Promotion of Science JPJSCCA20200004
  • Murata Science and Education Foundation
  • Japan Society for the Promotion of Science 25K01507

Manuscript type: Publisher's version (Version of record)

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First published URL: https://doi.org/10.1039/d5dt01100k

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Updated at: 2025-07-02 16:30:25 +0900

Published on MDR: 2025-07-02 16:24:28 +0900

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