Cluster Self-Organization of Intermetallic Systems: Role of K5=0@5, K9=1@8 and K11=0@11 Clusters in the Self-Assembly of Crystal Structures

The combinatorial-topological analysis and simulation of self-assembly of the Na96Hg36-hR132 (space groupR-3c, a = b = 9.228 angstrom, c = 52.6380 angstrom, V = 3881.91 angstrom(3)) and Na12Hg8-tP20 (space group P4(2)/mnm, a = b = 8.520, c = 7.800 angstrom, V= 566.2 angstrom(3)) crystal structures are conducted by computer-based methods (ToposPro program package). Polyhedral cluster precursors K11 = 0@11(Na8Hg3) and K9 = Hg@Na-8 are first determined for the intermetallic compound Na96Hg36-hR132, while polyhedral cluster precursors K5 = 0@Na3Hg2 are determined for the intermetallic compound Na12Hg8-tP20. The symmetry and topology code of the self-assembly processes of the 3D structure Na96Hg36-hR132 from the nanocluster precursors K11 and K9, and of the 3D structure Na12Hg8-tP20 from the K5 clusters are reconstructed as the primary chainThe structural analysis of all known intermetallic compounds is conducted, and numerous examples of the assembly of their structures from the K5, K9, and K11 clusters are found.