Ba6Ti5S15O: A New Metal/Oxysulfide Resulting from the Inclusion of BaO into the BaTiS3 Structure Type

Anthony C. Sutorik, Mercouri G. Kanatzidis

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Abstract

From a mixture of 0.212 g BaS (1.25 mmol), 0.038 g BaO (0.25 mmol), 0.060 g Ti (1.25 mmol), and 0.080 g S (2.50 mmol) heated in a quartz tube at 700 °C for 8 days, we have synthesized Ba6Ti5S15O. The compound crystallizes in the C2221 space group (No. 20) with a = 6.708(5) Á, b = 15.683(4) Å, c = 23.740(7) Å, and V = 2497(2) Å3 final (R/Rw = 3.8%/5.4%). The structure is two-dimensional and features [Ti5S15O] fragments composed of five face-sharing Ti centered octahedra with O atoms occupying one site on each terminal face. These fragments are then joined together through linear bridges at the O atom and one S atom of the terminal face into the 2D layer. The Ba2+ cations reside in intralayer cavities, leaving the space between the layers open. Diffuse reflectance measurements show an absorption edge at approximately 1.04 eV, indicating semiconducting behavior.

Original languageEnglish
Pages (from-to)1700-1704
Number of pages5
JournalChemistry of Materials
Volume6
Issue number10
DOIs
Publication statusPublished - Oct 1 1994

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

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