Synthesis and structure of BaSc3AgS6

Ping Wu, Michael A. Pell, Jason A. Cody, James A. Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations


The new quaternary compound BaSc3AgS6 has been synthesized at 1000 °C. The compound crystallizes in the space group D2b16-Pnma of the orthorhombic system with eight formula units in a cell of dimensions a = 16.154(3) A ̊, b = 11.108(2) A ̊, c = 10.914(3) A ̊ (T = 115 K), V = 1958.4(7) A ̊3. The structure of the compound was determined from single-crystal X-ray methods. Agreement indices are Rw(F2) = 0.123 for 2022 unique data and 54 variables, R(F) = 0.056 for 1201 observations having Fo2>2σ(Fo2). BaSc3AgS6 has a three-dimensional framework structure with single channels that accommodate Ba2+ cations. Sc3+ cations are octahedrally coordinated whereas Ag+ cations exhibit both square-pyramidal and trigonal-pyramidal coordination.

Original languageEnglish (US)
Pages (from-to)199-202
Number of pages4
JournalJournal of Alloys and Compounds
Issue number2
StatePublished - Jul 1 1995


  • Crystal structure
  • Quaternary sulfide
  • Synthesis

ASJC Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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