The synthesis and structure of two filled skutterudite compounds: BaFe4Sb12 and BaRu4Sb12

Ned T. Stetson, Susan M. Kauzlarich, Håkon Hope

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Abstract

Two compounds, BaT4Sb12 (T = Fe, Ru), have been synthesized using high temperature methods. These compounds crystallize in the cubic LaFe4P12 structure type. Two methods are described for the synthesis of BaFe4Sb12. Single crystals of BaFe4Sb12 can be prepared by reacting BaSb, Fe, and Sb in a 1:4:18 (Ba:Fe:Sb) molar ratio (method I). Single crystal X-ray diffraction data (room temperature, a = 9.200(3) Å) for BaFe4Sb12 prepared by Method I were refined (cubic, Im3 (No. 204), Z = 2, R = 1.96%, Rw = 1.73% for 179 independent reflections). BaFe4Sb12 can also be prepared in ≥80% yield from the reaction of stoichiometric amounts of Ba2Sb3, FeSb2, and Sb (method II). Low temperature (130 K, a = 9.188(2)) single crystal X-ray diffraction data on BaFe4Sb12 crystals produced from Method II were also measured and refined (R = 2.29%, Rw = 2.45% for 179 independent reflections). The structure of BaFe4Sb12 will be compared to that of the LaFe4Sb12 and CoSb3.

Original languageEnglish (US)
Pages (from-to)140-147
Number of pages8
JournalJournal of Solid State Chemistry
Volume91
Issue number1
DOIs
StatePublished - 1991

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ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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