Si extraction from Silica in a basic polychalcogenide flux. Stabilization of Ba4SiSb2Se11, a novel mixed selenosilicate/selenoantimonate with a polar structure

K. S. Choi, M. G. Kanatzidis*

*Corresponding author for this work

Research output: Contribution to journalArticle

14 Scopus citations

Abstract

An unusual compound, Ba4SiSb2Se11, was discovered from a reaction of Ba/Th/Sb/Se. It is assumed that Si was extracted from the silica reaction tube. It forms as silver needlelike crystals in the polar space group Cmc21 with a = 9.3981(3) Å, b = 25.7192(7) Å, c = 8.7748 (3) Å, and Z = 4. A rational synthesis has been devised at 600°C. The compound is composed of Ba2+ ions stabilized between infinite one-dimensional [SiSb2Se11]8- chains running parallel to the a axis. Each chain is composed of a [SbSe2]- backbone with [SiSe4]4- tetrahedra chelating every other Sb atom from the same side of the backbone. The V-shaped triselenide groups, (Se3)2-, are attached to the rest of the Sb atoms in the chain through one of their terminal Se atoms. The compound has a band gap of 1.43 eV. The Raman spectrum shows a broad shift at 247 cm-1 and a shoulder around 234 cm-1; which are related to the Se-Se vibration of the triselenide groups and/or the Si-Se vibrations of the [SiSe4]4- groups. The compound decomposes at 522°C.

Original languageEnglish (US)
Pages (from-to)101-104
Number of pages4
JournalInorganic chemistry
Volume40
Issue number1
DOIs
StatePublished - Jan 1 2001

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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