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サイユウ スイテイ ニモトヅク アタラシイ フンマツ コウゾウ カイセキホウ

By 隆 井田, タカシ イダ and Takashi Ida

Abstract

This article introduces a new method for structure analysis from powder diffraction data recently developed by the author. The method is based on maximum-likelihood estimation associated with optimization of a theoretical model for statistical errors in observed diffraction intensity data. The method has been applied to refi nement of the crystal structures of Ca5(PO4)3F, PbSO4 and BaSO4 from powder diffraction data. The structures optimized by the new method show signifi cantly better coincidence with those obtained by single-crystal structure analyses than the Rietveld method

Publisher: 名古屋工業大学セラミックス基盤工学研究センター
Year: 2012
OAI identifier: oai:repo.lib.nitech.ac.jp:123456789/10583
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