Modeling of the crystal structure of platinum metal’s complex compounds by using parallel computing based on genetic algorithms and x-ray diffraction data

Engineering & Technologies, Vol 9, No 1 (2016)

Modeling of the crystal structure of platinum metal’s complex compounds by using parallel computing based on genetic algorithms and x-ray diffraction data

Igor S Yakimov

Abstract

Two crystal structures 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.