Syntheses, crystal structures, and optical properties of CsBa5Ti2Se9Cl and CsBa2Cl5

Adel Mesbah, Jai Prakash, Christos D. Malliakas, Sébastien Lebègue, Michael Badawi, James A. Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticle

Abstract

The mixed-cation compounds CsBa5Ti2Se9Cl and CsBa2Cl5 were synthesized in the same solid-state reaction at 1173 K. CsBa5Ti2Se9Cl adopts the Cs3CoCl5 structure type in the tetragonal crystal system whereas CsBa2Cl5 crystallizes in the PbU2Se5 structure type in the monoclinic crystal system. The CsBa5Ti2Se9Cl structure displays both Cs/Ba and Se/Cl disorder. From optical absorption measurements CsBa5Ti2Se9Cl is an indirect wide-gap semiconductor. From theoretical calculations CsBa2Cl5 has a large band gap of 6.4 eV.

Original languageEnglish (US)
Pages (from-to)258-262
Number of pages5
JournalJournal of Solid State Chemistry
Volume253
DOIs
StatePublished - Sep 2017

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Keywords

  • Crystal structures
  • Mixed-ion compounds
  • Optical properties

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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