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

Research output: Contribution to journalArticle

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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
Pages (from-to)234-249
Number of pages16
JournalJournal of Solid State Chemistry
Volume130
Issue number2
DOIs
Publication statusPublished - May 1997

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Germanium
Indium
Discrete Fourier transforms
ribbons
Intermetallics
intermetallics
indium
Potassium
germanium
potassium
Crystal structure
Ions
X rays
Defects
crystal structure
Electrons
defects
synthesis
ions
electrons

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical 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

New Layered Materials in the K-In-Ge-As System : K8In8Ge5As17and K5In5Ge5As14. / Shreeve-Keyer, Julie L.; Haushalter, Robert C.; Lee, Young Sook; Li, Sichu; O'Connor, Charles J.; Seo, Dong Kyun; Whangbo, Myung Hwan.

In: Journal of Solid State Chemistry, Vol. 130, No. 2, 05.1997, p. 234-249.

Research output: Contribution to journalArticle

Shreeve-Keyer, JL, Haushalter, RC, Lee, YS, Li, S, O'Connor, CJ, Seo, DK & Whangbo, MH 1997, 'New Layered Materials in the K-In-Ge-As System: K8In8Ge5As17and K5In5Ge5As14', Journal of Solid State Chemistry, vol. 130, no. 2, pp. 234-249. https://doi.org/10.1006/jssc.1996.7210
Shreeve-Keyer, Julie L. ; Haushalter, Robert C. ; Lee, Young Sook ; Li, Sichu ; O'Connor, Charles J. ; Seo, Dong Kyun ; Whangbo, Myung Hwan. / New Layered Materials in the K-In-Ge-As System : K8In8Ge5As17and K5In5Ge5As14. In: Journal of Solid State Chemistry. 1997 ; Vol. 130, No. 2. pp. 234-249.
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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) {\AA},b=19.087 (7) {\AA},c=25.360 (3) {\AA},β=105.71 (2)°,V=8571 (4) {\AA}3, andDcalcd=4.45g/cm3forZ=4. Refinement on 4455 reflections yieldedR(Rw)=6.8{\%}(7.8{\%}). Compound 2: space groupC2/mwitha=40.00 (1) {\AA},b=3.925 (2) {\AA},c=10.299 (3),β=99.97 (2)°,V=1592 (1) {\AA}3, andDcalcd= 4.55g/cm3forZ=8. Refinement on 1206 reflections yieldedR(Rw)=5.6{\%} (5.7{\%}).",
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AU - Shreeve-Keyer, Julie L.

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AB - 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%).

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