New information on the Na-Ti-Se ternary system

Jennifer A. Aitken, Mercouri G. Kanatzidis

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


Na2Ti2Se9 was first discovered in the quaternary system Na/Ti/P/Se, but it can be prepared rationally by dissolving Ti in a Na2Sex flux at 375 °C. The silverish dark red crystals are air-and water-stable. A new method for synthesizing Na4TiSe4 is also reported. Na2Ti2Se9 crystallizes in space group P21 with a = 12.785(4), b = 14.848(4), c = 13.961(4) Å, β = 94.556(4)°, R1 = 0.0592 and wR2 = 0.1336. The structure is similar to that of K5NaTi6Se27. It contains infinite one dimensional chains which run parallel to the c-axis and contain Ti4+ centers bonded to Se22- and Se2- species. The 1/∞[Ti2(Se2)4Se]2- chains pack together in a hexagonal pattern. All of the titanium atoms are surrounded by a pentagonal bipyramid of selenium atoms. The selenium atoms bridge the Ti centers in two different ways. Na2Ti2Se9 is a semiconductor with a band gap, Eg, of ≃ 1.02 eV. The Raman spectra are also reported.

Original languageEnglish
Pages (from-to)49-56
Number of pages8
JournalZeitschrift fur Naturforschung - Section B Journal of Chemical Sciences
Issue number1
Publication statusPublished - Jan 2001


  • Molten salt fluxes
  • Polychalcogenide
  • Polyselenide

ASJC Scopus subject areas

  • Chemistry(all)

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