Crystal and electronic structure of a quaternary layered compound from the k-in-ge-sb system: K9in9gesb22

Julie L. Shreeve-Keyer, Robert C. Haushalter, Dong Kyun Seo, Myung Hwan Whangbo

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3 Scopus citations

Abstract

The quaternary Zintl phase material, K9In9GeSb22 (1), has been prepared at 650°C and its structure determined by single crystal X-ray diffraction: triclinic, space group P1̄ with a = 11.62 (1) Å, b = 13.04 (3) Å, c = 11.27 (2) Å, α = 113.5 (2)°, β = 91.7 (1)°, γ = 112.3 (1)°, V = 1415 (4) Å3, and Dcalcd = 4.851 g/cm3 for Z = 2 and R(RW) = 7.9% (8.8%). Antimonide 1 contains layers comprised of indium, germanium, and arsenic separated by K+ cations. The In-Ge-Sb layers in 1 contain In(2-x)GexSb6 (x ≅ 1) dimers with In(Ge)-In(Ge) bonds, InSb4 tetrahedra, and Sb3 trimers, as well as infinite chains with Sb-Sb bonds. There is an unusual metal-metal bonded site in 1, that contains contains a solid solution of 1:1 In and Ge, with an In(Ge)-In(Ge) separation of 2.659 (1) Å. The nature of this experimentally determined solid solution at the M-M bonded site, and its effects on the electronic structure of K9In9GeSb22, was investigated via tight binding calculations.

Original languageEnglish (US)
Pages (from-to)239-244
Number of pages6
JournalJournal of Solid State Chemistry
Volume122
Issue number1
DOIs
StatePublished - Feb 15 1996
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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