Structure refinement using precession electron diffraction tomography and dynamical diffraction: tests on experimental data
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F15%3A10318544" target="_blank" >RIV/00216208:11320/15:10318544 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/15:00452352
Result on the web
<a href="http://dx.doi.org/10.1107/S2052520615017023" target="_blank" >http://dx.doi.org/10.1107/S2052520615017023</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1107/S2052520615017023" target="_blank" >10.1107/S2052520615017023</a>
Alternative languages
Result language
angličtina
Original language name
Structure refinement using precession electron diffraction tomography and dynamical diffraction: tests on experimental data
Original language description
The recently published method for the structure refinement from three-dimensional precession electron diffraction data using dynamical diffraction theory [Palatinus et al. (2015). Acta Cryst. A71, 235-244] has been applied to a set of experimental data sets from five different samples - Ni2Si, PrVO3, kaolinite, orthopyroxene and mayenite. The data were measured on different instruments and with variable precession angles. For each sample a reliable reference structure was available. A large series of tests revealed that the method provides structure models with an average error in atomic positions typically between 0.01 and 0.02 angstrom. The obtained structure models are significantly more accurate than models obtained by refinement using kinematicalapproximation for the calculation of model intensities. The method also allows a reliable determination of site occupancies and determination of absolute structure. Based on the extensive tests, an optimal set of the parameters for the me
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
—
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
ISSN
2052-5206
e-ISSN
—
Volume of the periodical
71
Issue of the periodical within the volume
6
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
740-751
UT code for WoS article
000366321100019
EID of the result in the Scopus database
2-s2.0-84949234672