Hostname: page-component-586b7cd67f-t8hqh Total loading time: 0 Render date: 2024-11-28T09:29:35.406Z Has data issue: false hasContentIssue false
  • English
  • Français

Update in a Rietveld analysis program for x-ray powder spectro-diffractometry

Published online by Cambridge University Press:  05 March 2012

Yanan Xiao ,
Fujio Izumi ,
Timothy Graber ,
P. James Viccaro  and
Dale E. Wittmer
Yanan Xiao
Affiliation:
Department of Mechanical Engineering and Energy Processes, Southern Illinois University, Carbondale, Illinois The Center for Advanced Radiation Sources, The University of Chicago, Chicago, Illinois 60637
Fujio Izumi
Affiliation:
Advanced Materials Laboratory, National Institute for Materials Science, Tsukuba, 1-1 Namiki, Ibaraki 305-0044, Japan
Timothy Graber
Affiliation:
The Center for Advanced Radiation Sources, The University of Chicago, Chicago, Illinois 60637
P. James Viccaro
Affiliation:
The Center for Advanced Radiation Sources, The University of Chicago, Chicago, Illinois 60637
Dale E. Wittmer
Affiliation:
Department of Mechanical Engineering and Energy Processes, Southern Illinois University, Carbondale, Illinois 62901
Get access Rights & Permissions [Opens in a new window]

Abstract

A computer program for refining anomalous scattering factors using x-ray powder diffraction data was revised on the basis of the latest version of a versatile pattern-fitting system, RIETAN-2000. The effectiveness of the resulting program was confirmed by applying it to simulated and measured powder-diffraction patterns of Mn3O4 taken at a synchrotron light source.

Keywords

Rietveld analysisspectro-diffractometryanomalous scatteringRIETANsynchrotron x-ray powder diffraction
Type
Technical Articles
Information
Powder Diffraction , Volume 18 , Issue 1 , March 2003 , pp. 32 - 35
Copyright
Copyright © Cambridge University Press 2003

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Attfield, J. P. (1990). “Determination of valence and cation distributions by resonant powder x-ray diffraction,” Nature (London) NATUAS 343, 46–49. nat, NATUAS Google Scholar
Attfield, J. P. (1991). “Resonant powder x-ray diffraction applied to mixed valence compounds and the possibility of site-resolved x-ray absorption spectroscopy illustrated for YBa2Cu3O6.27,” J. Phys. Chem. Solids JPCSAW 52, 1243–1249. jpx, JPCSAW CrossRefGoogle Scholar
Dorris, S. E.and Mason, T. O. (1988). “Electrical properties and cation valencies in Mn3O4,” J. Am. Ceram. Soc. JACTAW 71, 379–385. jac, JACTAW CrossRefGoogle Scholar
Izumi, F. (1993). “Rietveld analysis programs RIETAN and PREMOS and special applications,” in The Rietveld Method, edited by R. A. Young (Oxford University Press, Oxford).Google Scholar
Izumi, F. (1996). “The Rietveld method and its applications to synchrotron x-ray powder data,” in Applications of Synchrotron Radiation to Materials Analysis, edited by H. Saisho and Y. Gohshi (Elsevier, Amsterdam).Google Scholar
Izumi, F.and Ikeda, T. (2000). “A Rietveld-analysis program RIETAN-98 and its applications to zeolites,” Mater. Sci. Forum MSFOEP 321–324, 198–203. msf, MSFOEP CrossRefGoogle Scholar
Izumi, F., Kumazawa, S., Ikeda, T., and Ida, T. (1998). “Structure refinement by Rietveld analysis and MEM-based whole-pattern fitting under partial profile relaxation,” in Powder Diffraction, edited by S. P. Sen Gupta (Allied, New Delhi).Google Scholar
Izumi, F., Kumazawa, S., Ikeda, T., Hu, W.-Z., Yamamoto, A., and Oikawa, K. (2001). “MEM-based structure-refinement system REMEDY and its application,” Mater. Sci. Forum MSFOEP 378–381, 59–64. msf, MSFOEP CrossRefGoogle Scholar
James, R. W. (1965). The Optical Principles of the Diffraction X-rays (Cornell University Press, Ithaca, NY).Google Scholar
Jarosch, D. (1987). “Crystal structure refinement and reflectance measurements of hausmannite, Mn3O4,” Mineral. Petrol. ZZZZZZ 37, 15–23.CrossRefGoogle Scholar
Kwei, G. H., Von Dreele, R. B., Williams, A., Goldstone, J. A., Lawson, A. C. II, and Warburton, W. K. (1990). “Structure and valence from complementary anomalous x-ray and neutron powder diffraction,” J. Mol. Struct. JMOSB4 223, 383–406. jmb, JMOSB4 CrossRefGoogle Scholar
Rietveld, H. M. (1969). “A profile refinement method for nuclear and magnetic structures,” J. Appl. Crystallogr. JACGAR 2, 65–71. acr, JACGAR CrossRefGoogle Scholar
Warner, J. K., Cheetham, A. K., Cox, D. E., and Von Dreele, R. B. (1992). “Valence contrast between iron sites in a-Fe2PO5: A comparative study by magnetic neutron and resonant x-ray powder diffraction,” J. Am. Chem. Soc. JACSAT 114, 6074–6080. acs, JACSAT CrossRefGoogle Scholar
Wilkinson, A. P., Cheetham, A. K., and Cox, D. E. (1991). “Study of oxidation-state contrast in gallium dichloride by synchrotron x-ray anomalous scattering,” Acta Crystallogr., Sect. B: Struct. Sci. ASBSDK 47, 155–161. acl, ASBSDK CrossRefGoogle Scholar
Xiao, Y., Hayakawa, S., Gohshi, Y., Oshima, M., Okudera, H., Toraya, H., and Ohsumi, K. (1998). “Spectro-diffractometry for chemical-state analysis based on in-advance simulation,” Bull. Chem. Soc. Jpn. BCSJA8 71, 2375–2380. bcs, BCSJA8 Google Scholar
Xiao, Y., Hayakawa, S., Gohshi, Y., Oshima, M., Izumi, F., Okudera, H., Toraya, H., and Ohsumi, K. (1999a). “A Rietveld-analysis program for x-ray powder spectro-diffractometry,” Powder Diffr. PODIE2 14, 106–110. pdj, PODIE2 CrossRefGoogle Scholar
Xiao, Y., Hayakawa, S., Gohshi, Y., Oshima, M., Izumi, F., Okudera, H., Toraya, H., and Ohsumi, K. (1999b). “Site-selective chemical state analysis for magnetite structure using powder spectro-diffractometry,” Jpn. J. Appl. Phys. JAPNDE 38, 381–384. jjb, JAPNDE CrossRefGoogle Scholar