Synthesis, structure, and bonding of Ca2Ni3Ge 2 and comparison with CaNiGe, SrNi2Ge, and Ca 3Ni3Si2

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Abstract

A new intermetallic calcium nickel germanide Ca2Ni 3Ge2 was synthesized by melting of mixtures of the three elements in an arc-furnace and subsequent heat treatment in a muffle furnace. The compound was investigated by X-ray powder and single-crystal diffraction methods, and its structure has been refined on the basis of single-crystal data. Ca2Ni3Ge2 crystallizes with a new structure type: Pmma, a = 9.097(2), b = 4.014(1), c = 7.019(1) Â, wR2 = 0.045, 355 F2 values, 28 variable parameters. In this structure the nickel and germanium atoms build puckered two-dimensional [Ni3Ge 2] layers, which are separated by the calcium atoms. The crystal chemistry of Ca2Ni3Ge2 as well as the chemical bonding in Ca2Ni3Ge2 and Ca3Ni 3Si2 are briefly discussed.

Original languageEnglish
Pages (from-to)100-107
Number of pages8
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Volume636
Issue number1
DOIs
StatePublished - Jan 2010

Keywords

  • Germanides
  • Intermetallic phases
  • Layered compounds: Density functional calculations
  • X-ray diffraction

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