Structure Analysis Introducing Partial Profile Relaxation and the Maximum-Entropy Method with Powder Diffraction Data.

Accession number;99A0562718
Title;Structure Analysis Introducing Partial Profile Relaxation and the Maximum-Entropy Method with Powder Diffraction Data.
Author; IZUMI FUJIO (Nat. Inst. for Res. in Inorganic Mater.) IKEDA TAKUJI (Univ. of Tsukuba, Inst. of Appl. Phys.) KUMAZAWA SHINTARO (Japan Atomic Energy Res. Inst., Advanced Sci. Res. Center, JPN)
Journal Title;Journal of the Mineralogical Society of Japan
Journal Code:G0124A
ISSN:0454-1146
VOL.28;NO.2;PAGE.57-63(1999)
Figure&Table&Reference;FIG.6, REF.17
Pub. Country;Japan
Language;Japanese
Abstract;A Rietveld-refinement program, RIETAN-98, has two advanced features: partial profile relaxation and whole-pattern fitting based on a maximum-entropy method (MEM). Partial profile relaxation means that primary profile parameters of isolated reflections can be locally refined independently of secondary profile parameters. It was combined with three split-type profile functions to obtain better fits between observed and calculated patterns, particularly in samples showing anisotropic profile broadening, Further, RIETAN-98 has been combined with a MEED program for the MEM to grow into a joint software named REMEDY, which makes it possible to carry out MEM analysis and whole-pattern fitting alternately. REMEDY is very useful for modifying incomplete structural models and analyzing highly disordered structures. (author abst.)
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