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On the Estimation of the Termination Effect in Fourier Synthesis in X‐ray Structure Analysis
Author(s) -
Takahashi Yasuhiko,
Ohshima Kenichi,
Yamamoto Kazuki,
Yukino Ken,
Okamura Fujio P.
Publication year - 1998
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889898009194
Subject(s) - fourier transform , x ray , lambda , fourier analysis , displacement (psychology) , wavelength , crystal structure , fourier series , order (exchange) , computational physics , electron density , distribution (mathematics) , physics , optics , electron , crystallography , materials science , molecular physics , chemistry , mathematics , mathematical analysis , nuclear physics , quantum mechanics , psychology , finance , economics , psychotherapist
An accurate structure analysis of a spherical LaB 6 single crystal has been performed with the use of short‐wavelength X‐rays (W K α 1 ) in order to estimate the termination effect in Fourier synthesis on the electron‐density distribution (EDD). It is concluded that the effect on the EDD is negligible if data are taken up to Å −1 , because the negative values disappear completely from the map. The values of displacement parameters of the constituent atoms in LaB 6 are also discussed.