New Cluster Precursors—K5 Pyramids and K4 Tetrahedra—for Self-Assembly of Crystal Structures of Mn4(ThMn4)(Mn4)-tI26, Mn4(CeCo4)(Co4)-tI26, and MoNi4-tI10 Families
G. D. Ilyushin
Abstract
A combinatorial and topological analysis has been performed, and the self-assembly of the crystal structures of the Mn4(ThMn4)(Mn4)-tI26 (sp. gr. I4/mmm), Mn4(CeCo4)(Co4)-tI26 (sp. gr. I4/mmm), and MoNi4-tI10 (sp. gr. I4/m) families has been simulated using computer methods (the ToposPro software). Cluster precursors K5 = 0@MoNi4 in the form of a pyramid were found for MoNi4-tI10, cluster precursors K4 in the form of tetrahedron 0@Mn4 and pyramid K5 = 0@ThMn4 were found for Mn4(ThMn4)(Mn4)-tI26, and cluster precursors K4 in the form of tetrahedron 0@Co4 and pyramid K5 = 0@CeCo4 were found for Mn4(CeCo4)(Co4)-tI26. The symmetry and topology codes of the self-assembly processes of crystal structures of intermetallic compounds have been reconstructed from precursor clusters $$S_{3}^{0}$$ in the following form: primary chain $$S_{3}^{1}$$ → microlayer $$S_{3}^{2}$$ → microframework $$S_{3}^{3}$$ .