Journal of Siberian Federal University. Engineering & Technologies / Modeling of the Crystal Structure of Platinum Metal’s Complex Compounds by Using Parallel Computing Based on Genetic Algorithms and X-ray Diffraction Data

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Issue
Journal of Siberian Federal University. Engineering & Technologies. 2016 9 (1)
Authors
Zaloga, Alexander N.; Dubinin, Peter S.; Kirik, Sergey D.; Mulagaleev, Ruslan F.; Solovyev, Leonid A.; Yakimov, Igor S.
Contact information
Zaloga, Alexander N.:Siberian Federal University 79 Svobodny, Krasnoyarsk, 660041, Russia; Dubinin, Peter S.:Siberian Federal University 79 Svobodny, Krasnoyarsk, 660041, Russia; Kirik, Sergey D.:Siberian Federal University 79 Svobodny, Krasnoyarsk, 660041, Russia; Mulagaleev, Ruslan F.:JSC «Krasnoyarsk Nonferrous Metals Plant» 1 Transport fares, Krasnoyarsk, 660027, Russia; Solovyev, Leonid A.:Institute of chemistry and Chemical Technology SB RAS 50/24 Akademgorodok, Krasnoyarsk, 660036, Russia; Yakimov, Igor S.:Siberian Federal University 79 Svobodny, Krasnoyarsk, 660041, Russia; E-mail:
Keywords
crystal structure analysis; X-ray powder diffraction; genetics algorithm; full-profile analysis; Rietveld method
Abstract

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

Pages
105-116
Paper at repository of SibFU
http://elib.sfu-kras.ru/handle/2311/20167

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