Determining metal ion distributions using resonant scattering at very high-energy K-edges

Bi/Pb in Pb5Bi6Se14

Yuegang Zhang, Angus P. Wilkinson, Peter L. Lee, Sarvjit D. Shastri, Deming Shu, Duck Young Chung, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

42 Citations (Scopus)

Abstract

Powder diffraction data collected at ∼86 keV, and just below both the Pb and the Bi K-edges, on an imaging plate detector using synchrotron radiation from the Advanced Photon Source have been used to examine the Pb/Bi distribution over the 11 crystallographically distinct sites in Pb 5Bi6Se14 [space group P21/m, a = 16.0096 (2) Å, b = 4.20148 (4) Å, c = 21.5689 (3) Å and β= 97.537 (1)°]. The scattering factors needed for the analyses were determined both by Kramers-Kronig transformation of absorption spectra and by analyses of diffraction patterns from reference compounds. Even with the relatively low scattering contrast that is available at the K-edges, it was possible to determine the Pb/Bi distribution and probe the presence of cation site vacancies in the material. The current results indicate that resonant scattering measurements at high-energy K-edges are a viable, and perhaps preferable, route to site occupancies when absorption from the sample or sample environment/container is a major barrier to the acquisition of high-quality resonant scattering data at lower-energy edges.

Original languageEnglish
Pages (from-to)433-441
Number of pages9
JournalJournal of Applied Crystallography
Volume38
Issue number3
DOIs
Publication statusPublished - Jun 2005

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ion distribution
Metal ions
metal ions
Metals
Scattering
Ions
Powder Diffraction
Synchrotrons
scattering
Photons
Statistical Factor Analysis
Cations
Spectrum Analysis
Radiation
energy
Synchrotron radiation
containers
Diffraction patterns
Vacancies
Containers

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Structural Biology

Cite this

Determining metal ion distributions using resonant scattering at very high-energy K-edges : Bi/Pb in Pb5Bi6Se14. / Zhang, Yuegang; Wilkinson, Angus P.; Lee, Peter L.; Shastri, Sarvjit D.; Shu, Deming; Chung, Duck Young; Kanatzidis, Mercouri G.

In: Journal of Applied Crystallography, Vol. 38, No. 3, 06.2005, p. 433-441.

Research output: Contribution to journalArticle

Zhang, Yuegang ; Wilkinson, Angus P. ; Lee, Peter L. ; Shastri, Sarvjit D. ; Shu, Deming ; Chung, Duck Young ; Kanatzidis, Mercouri G. / Determining metal ion distributions using resonant scattering at very high-energy K-edges : Bi/Pb in Pb5Bi6Se14. In: Journal of Applied Crystallography. 2005 ; Vol. 38, No. 3. pp. 433-441.
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abstract = "Powder diffraction data collected at ∼86 keV, and just below both the Pb and the Bi K-edges, on an imaging plate detector using synchrotron radiation from the Advanced Photon Source have been used to examine the Pb/Bi distribution over the 11 crystallographically distinct sites in Pb 5Bi6Se14 [space group P21/m, a = 16.0096 (2) {\AA}, b = 4.20148 (4) {\AA}, c = 21.5689 (3) {\AA} and β= 97.537 (1)°]. The scattering factors needed for the analyses were determined both by Kramers-Kronig transformation of absorption spectra and by analyses of diffraction patterns from reference compounds. Even with the relatively low scattering contrast that is available at the K-edges, it was possible to determine the Pb/Bi distribution and probe the presence of cation site vacancies in the material. The current results indicate that resonant scattering measurements at high-energy K-edges are a viable, and perhaps preferable, route to site occupancies when absorption from the sample or sample environment/container is a major barrier to the acquisition of high-quality resonant scattering data at lower-energy edges.",
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