Crystal structures from powder data by direct methods
نویسندگان
چکیده
منابع مشابه
Direct Methods Optimised for Solving Crystal Structure by Powder Diffraction Data: Limits, Strategies, and Prospects
The ab-initio crystal structure solution by powder diffraction data requires great efforts because of the collapse of the experimental information onto the one dimensional 2θ axis of the pattern. Different strategies will be described aiming at improving the process of extraction of the integrated intensities from the experimental pattern in order to make more straightforward the structure solu...
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The structure solution from powder diffraction has undergone an intense evolution during the last 20 years, but is far from being routine. Current challenges of powder crystallography include ab initio crystal structure determination on real samples of new materials with specific microstructures, characterization of intermediate reaction products from in situ, in operando studies and novel phas...
متن کاملCrystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X-ray powder diffraction data
Crotonaldehyde semicarbazone {systematic name: (E)-2-[(E)-but-2-en-1-yl-idene]hydrazinecarboxamide}, C5H9N3O, (I), and crotonaldehyde thio-semi-carba-zone {systematic name: (E)-2-[(E)-but-2-en-1-yldene]hydra-zinecarbo--thio-amide}, C5H9N3S, (II), show the same E conformation around the imine C=N bond. Compounds (I) and (II) were obtained by the condensation of crotonaldehyde with semicarbazide ...
متن کاملCrystal Structures of CaLa8Ti9O31 and Ca2La4Ti6O20 Determined from Powder Diffraction Data.
The ceramic materials of CaLa8Ti9O31 and Ca2La4Ti6O20 were synthesized using the solid-state reaction method. The crystal structures were determined from powder diffraction data using direct space methods. Like in similar compounds of the general formula AnBnO3n+2, the title compounds are composed of perovskite-like slabs, separated by oxygen-rich layers, where Ca or La occupy the A site.
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 1996
ISSN: 0108-7673
DOI: 10.1107/s0108767396096985