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日本結晶学会誌
Vol. 44 (2002) No. 1 P 30-34

記事言語:

http://doi.org/10.5940/jcrsj.44.30


Synchtrotron X-ray powder diffraction and latest analysis software have increased possibilities of solving unknown structures. This article describes (a) estimation of integrated intensities by step-by-step Le Bail refinements, (b) derivation of an initial structural model by the direct method, and (c) analysis of a disordered structure by MEM-based pattern fitting. Examples of analyses with synchrotron powder data, cimetidine for (a), zeolite Linde Type L for (b), and Sr9.3Ni1.2 (PO4) 7 for (c), are shown.

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