High-pressure synthesis of a new copper thioborate, CuBS2

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A new copper thioborate, CuBS2, was synthesized at high-pressure/temperature condition of 3 GPa and 700-900 °C. The crystal structure was refined by the Rietveld analysis of the powder X-ray diffraction data. The compound crystallizes into a tetragonal unit cell (a = 0.5044(1) nm, c = 0.8947(2) nm, space group: I-42d), isostructural with CuMS2 chalcopyrite compounds (M: Al, Ga, and In). The compound is the first representative of the chalcopyrite-type family consisting of BS4-tetrahedra. From the UV-Vis diffuse reflectance spectrum, the optical band gap of CuBS2 was estimated to be Eg = 3.61 eV.

Original languageEnglish
Pages (from-to)2382-2384
Number of pages3
JournalMaterials Letters
Issue number11-12
Publication statusPublished - 2007 May


  • Chalcopyrite
  • Crystal structure
  • High-pressure synthesis
  • Intermetallic alloys and compounds
  • Rietveld analysis

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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