New Layered Materials in the K-In-Ge-As System: K8In8Ge5As17and K5In5Ge5As14

Julie L. Shreeve-Keyer, Robert C. Haushalter, Young Sook Lee, Sichu Li, Charles J. O'Connor, Dong Kyun Seo, Myung Hwan Whangbo

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Abstract

Exploratory synthesis in the K-In-Ge-As system has yielded the unusual layered compounds K8In8Ge5As17(1) and K5In5Ge5As14(2), both of which contain In-Ge-As layers with interleaved potassium ions, Ge-Ge bonds, InAs4tetrahedra, As-As bonds, and rows of Ge2As6dimers. Compound 1 has As3groups, while compound 2 has infinite As ribbons on both faces of each layer. Unlike compound 1, compound 2 has substitutional defects where indium partially occupies each of the three independent germanium sites in the ratio of 1:5 for In:Ge. This partial occupancy makes 2 an electron-precise compound. The Ge(In)-Ge(In) bond of 2 is longer than the Ge-Ge bond of 1, and this bond lengthening effect was confirmed by performing DFT-MO calculations on the model compounds H3Ge-GeH3and H3Ge-InH-3. Possible implications of electron imprecise formulas determined by X-ray crystal structure determinations are discussed. Compound 1: space groupP21/cwitha=18.394 (8) Å,b=19.087 (7) Å,c=25.360 (3) Å,β=105.71 (2)°,V=8571 (4) Å3, andDcalcd=4.45g/cm3forZ=4. Refinement on 4455 reflections yieldedR(Rw)=6.8%(7.8%). Compound 2: space groupC2/mwitha=40.00 (1) Å,b=3.925 (2) Å,c=10.299 (3),β=99.97 (2)°,V=1592 (1) Å3, andDcalcd= 4.55g/cm3forZ=8. Refinement on 1206 reflections yieldedR(Rw)=5.6% (5.7%).

Original languageEnglish (US)
Pages (from-to)234-249
Number of pages16
JournalJournal of Solid State Chemistry
Volume130
Issue number2
DOIs
StatePublished - May 1 1997
Externally publishedYes

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ASJC Scopus subject areas

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

Cite this

Shreeve-Keyer, J. L., Haushalter, R. C., Lee, Y. S., Li, S., O'Connor, C. J., Seo, D. K., & Whangbo, M. H. (1997). New Layered Materials in the K-In-Ge-As System: K8In8Ge5As17and K5In5Ge5As14. Journal of Solid State Chemistry, 130(2), 234-249. https://doi.org/10.1006/jssc.1996.7210