The Layered Ternary Germanium Tellurides ZrGeTe4, HfGeTe4, and TiGeTe6: Structure, Bonding, and Physical Properties

Arthur Mar, James A Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

30 Scopus citations


The new ternary chalcogenides zirconium germanium tetratelluride (ZrGeTe4), hafnium germanium tetratelluride (HfGeTe4), and titanium germanium hexatelluride (TiGeTe6) have been synthesized, and their structures have been determined by single-crystal X-ray diffraction methods. The compounds ZrGeTe4 and HfGeTe4 are isostructural. They crystallize in space group C122v of the orthorhombic system with four formula units in cells of dimensions a = 3.976(4), b = 15.876(16), c = 10.948(12) Å (ZrGeTe4) and a = 3.963(3), b = 15.875(10), c = 10.941(7) Å (HfGeTe4) at 113 K. The compound TiGeTe6 crystallizes in space group C32h of the monoclinic system with four formula units in a cell of dimensions a = 13.972(26), b = 3.909(9), and c = 17.454(32) Å and β = 104.95(5)° at 113 K. These compounds adopt new layered structure types, in which the basic structural building blocks are metal-centered bicapped trigonal prisms, one of whose caps is a GeTe3 trigonal pyramid. The structure of MGeTe4 (M = Zr, Hf) consists of true two-dimensional layers [formula omitted] while that of TiGeTe6 consists of one-dimensional chains [formula omitted] that are weakly linked together by long Te-Te bonds to form a layer. Structural interrelationships among these compounds and some binary chalcogenides are presented. The compounds ZrGeTe4 and HfGeTe4 are semiconductors; they are probably nonstoichiometric. The compound TiGeTe6 appears to undergo a metal-to-semiconductor transition below 165 K. Extended Hückel band-structure calculations are used to rationalize the physical properties and bonding features in these compounds.

Original languageEnglish (US)
Pages (from-to)3227-3238
Number of pages12
JournalJournal of the American Chemical Society
Issue number8
StatePublished - Apr 1 1993

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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