Modeling of the crystal structure of platinum metal's complex compounds by using parallel computing based on genetic algorithms and X-ray diffraction data
Автор: Zaloga Alexander N., Dubinin Peter S., Kirik Sergey D., Mulagaleev Ruslan F., Solovyev Leonid A., Yakimov Igor S.
Журнал: Журнал Сибирского федерального университета. Серия: Техника и технологии @technologies-sfu
Статья в выпуске: 1 т.9, 2016 года.
Бесплатный доступ
Crystal structure models of complex compounds [Pd(CH3NH2)4][PdBr4] (sp. gr. P4/mnc (128),a=10.6866(7) Å, c=6.7262(3) Å, V=768.16(10) Å3) and [Pt(NH3)5Cl]Br3 (sp. gr. I41/a (88),a=17.2587(5) Å; c=15.1164(3) Å, V=4502,61(10) Å3) has been determined by using the developed multipopulational parallel genetic algorithm (MPGA) and x-ray powder diffraction data. This paper presents the methodology and results of the structural analysis of these compounds obtained by application of the MPGA.
Crystal structure analysis, x-ray powder diffraction, genetics algorithm, full-profile analysis, rietveld method
Короткий адрес: https://sciup.org/146115038
IDR: 146115038 | DOI: 10.17516/1999-494X-2016-9-1-105-116
