Ba6Ti5S15O

A new metal/oxysulfide resulting from the inclusion of BaO into the BaTiS3 structure type

Anthony C. Sutorik, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

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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) Å, 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
Publication statusPublished - 1994

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Metals
Atoms
Quartz
Reflectometers
Cations
Positive ions

ASJC Scopus subject areas

  • Materials Chemistry
  • Materials Science(all)

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Ba6Ti5S15O : A new metal/oxysulfide resulting from the inclusion of BaO into the BaTiS3 structure type. / Sutorik, Anthony C.; Kanatzidis, Mercouri G.

In: Chemistry of Materials, Vol. 6, No. 10, 1994, p. 1700-1704.

Research output: Contribution to journalArticle

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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) {\AA}, b = 15.683(4) {\AA}, c = 23.740(7) {\AA}, and V = 2497(2) {\AA}3 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.",
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N2 - 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) Å, 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.

AB - 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) Å, 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.

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