# Flux crystal growth, structure, and optical properties of non-centrosymmetric oxysulfides Ln<sub>3</sub>Ga<sub>3</sub>Ge<sub>2</sub>S<sub>3</sub>O<sub>10</sub> (Ln = La, Ce, Pr, Nd)

https://mdr.nims.go.jp/datasets/d0730f28-f1c9-4ec7-b69c-cd7883562179

## File

- [d5dt01100k.pdf](https://mdr.nims.go.jp/filesets/847c139c-64ae-440b-afbf-0313725b72b0/download) ([Detail](https://mdr.nims.go.jp/filesets/847c139c-64ae-440b-afbf-0313725b72b0.md))

## Id

d0730f28-f1c9-4ec7-b69c-cd7883562179

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-07-02T01:10:35.350990Z

## Updated at

2025-07-02T07:30:25.638714Z

## Published at

2025-07-02T07:24:28.107469Z

## Doi



## First published url

https://doi.org/10.1039/d5dt01100k

## Date published

2025-06-12

## Recorded date published

2025-7-1

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Flux crystal growth, structure, and optical properties of non-centrosymmetric
    oxysulfides Ln<sub>3</sub>Ga<sub>3</sub>Ge<sub>2</sub>S<sub>3</sub>O<sub>10</sub>
    (Ln = La, Ce, Pr, Nd)
  title_type: original
  lang: en

## Description

- description: 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<sub>&infin;</sub>[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.
  description_type: abstract
  lang: und

## Creator

- name: Hong Yan
  role: author
- name: Kotaro Fujii
  role: author
- name: Yoshitaka Matsushita
  role: author
  orcid: https://orcid.org/0000-0002-4968-8905
- name: Masatomo Yashima
  role: author
  orcid: https://orcid.org/0000-0001-5406-9183
- name: Kazunari Yamaura
  role: author
  orcid: https://orcid.org/0000-0003-0390-8244
- name: Yoshihiro Tsujimoto
  role: author
  orcid: https://orcid.org/0000-0003-2140-3362

## Contact agent



## Publisher

organization: Royal Society of Chemistry (RSC)

## Managing organization



## Keyword

- subject: flux crystal growth
  schema: not_defined
- subject: oxysulfide
  schema: not_defined
- subject: nonlinear optical materials
  schema: not_defined
- subject: bandgap engineering
  schema: not_defined

## Rights

- identifier: cc-by-nc-3.0

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Dalton Transactions
  issn: '14779226'
  volume: '54'
  issue: '26'
  start_page: 10433
  end_page: 10440

## Conference



## Related item



## Funding

- identifier: 25K01657
  funder_name: Japan Society for the Promotion of Science
- identifier: 25H01652
  funder_name: Japan Society for the Promotion of Science
- identifier: JPJSBP120237714
  funder_name: Japan Society for the Promotion of Science
- identifier: JPJSCCA20200004
  funder_name: Japan Society for the Promotion of Science
- funder_name: Murata Science and Education Foundation
- identifier: 25K01507
  funder_name: Japan Society for the Promotion of Science

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



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## Fileset

- id: 847c139c-64ae-440b-afbf-0313725b72b0
  filename: d5dt01100k.pdf
  content_type: application/pdf
  size: 1448520
  md5: 6bc92f2d33dd165d5f8b74f893170ac2

## Thumbnail

fileset_id: 847c139c-64ae-440b-afbf-0313725b72b0
filename: d5dt01100k.pdf