Cluster Self-Organization of Intermetallic Systems: Cluster Precursors K3, K4, K5, K7, and K8 for the Self-Assembly of Lu66Te24-mC90, Te4Lu28-oC32, Lu3(TeLu3)Lu2-hP9, and Lu4Te4-cF8 Crystal Structures

Abstract

With the help of computer methods (ToposPro software package), a combinatorial topological analysis and modeling of the self-assembly of Lu₄Te₄-oF8 (Fm-3m, V = 211.0 ų), Te₄Lu₂₈-oC32 (Cmcm, V = 908.3 ų), Lu₃(TeLu₃)Lu₂-hP9 (P-62m, V = 908.3 ų), and Lu₆₆Te₂₄-mC90 (C12/m1, V = 2467.2 ų) crystal structures are carried out. For the crystal structure of Lu₄Te₄-oF8, cluster precursors K8 = 0@Te₄Lu₄ with symmetry –43m; for Te₄Lu₂₈-oC32, tetrahedral cluster precursors K4 = 0@Lu₄ and K4 = 0@TeLu₃ with symmetry 2 and m; and for Lu₃(TeLu₃)Lu₂, cluster precursors K7 = 0@Lu₃(TeLu₃) with symmetry 3m and spacers Lu are established. For the crystal structure of Lu₆₆Te₂₄-mC90, pyramid-shaped cluster precursors K5 = 0@Lu₅ with symmetry 2, tetrahedra K4 = 0@Lu₄ with symmetry 2, tetrahedra K4 = 0@TeLu₃, and tetrahedra K4 = 0@Te₂Lu₂ are established, and rings K3 = 0@TeLu₂ are involved in the formation of supraclusters-trimers. The symmetry and topological code of the processes of self-assembly of 3D structures from cluster precursors is reconstructed in the following form: primary chain → layer → framework.