Flux Crystal Growth, Structure, and Optical Properties of the New Germanium Oxysulfide La<sub>4</sub>(GeS<sub>2</sub>O<sub>2</sub>)<sub>3</sub>

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タイトル別名
  • Flux Crystal Growth, Structure, and Optical Properties of the New Germanium Oxysulfide La-4(GeS2O2)(3)

説明

Single crystals of a new germanium oxysulfide La-4(GeS2O2)(3) were grown out of a BaCl2-CaCl2 eutectic flux, and the crystal structure was determined via single-crystal X-ray diffraction. Ivory-white La-4(GeS2O2)(3) crystallizes in the centrosymmetric space group R (3) over bar with lattice constants of a = b = 16.8283(3) angstrom and c = 8.4140(2) angstrom. La-4(GeS2O2)(3) exhibits complex three- dimensional anion order in the framework composed of unusual GeS2O2 tetrahedra and three types of La-centered polyhedra. Moreover, the triangular arrangement of the GeS2O2 tetrahedra around a columnar structure of alternating face-sharing LaO12 and LaS6O6 units resembles that of GeO4 tetrahedra in the apatite germanate La-9.33(GeO4)(6)O-2, which features face-sharing LaO9 columns. The combination of UV-vis absorption measurements and first-principles calculations revealed the existence of an indirect optical band gap (E-g = 3.67 eV) between the valence band maximum composed of S 3p orbitals and the conduction band minimum composed of La 3d, La 4f, S 3p, and Ge 4s orbitals.

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詳細情報 詳細情報について

  • CRID
    1050006817962223616
  • NII論文ID
    120007042004
  • DOI
    10.1021/acs.cgd.0c00332
  • ISSN
    15287505
    15287483
  • HANDLE
    2115/81629
  • 本文言語コード
    en
  • 資料種別
    journal article
  • データソース種別
    • IRDB
    • CiNii Articles
    • OpenAIRE

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