A Collection of Topological Types of Nanoclusters and Its Application to Icosahedron-Based Intermetallics.

In this study, we carried out a topological and geometrical analysis of more than 27 000 intermetallics. More than 2000 topologically different nanoclusters were determined and stored in an electronic database as the Topological Types of Nanoclusters (TTN) collection. Besides the topology of the nanoclusters, the TTN collection contains the information on their occurrence as well as on motifs of their assembly in intermetallics; it is included to the set of the ToposPro topological collections.

γ-Brass polyhedral core in intermetallics: the nanocluster model.

Using the TOPOS program package, 26-atom nanoclusters of the γ-brass (Cu5Zn8) type (0@4@22 or 0@8@18) were found in 5918 crystal structures of cubic intermetallics. The nanocluster models were built for all the intermetallics using a recently developed algorithm implemented into TOPOS. The relations of the structures based on the 0@4@22 core are explored as a result of migration of atoms between different shells of the nanoclusters.

Au10Mo4Zn89: a fully ordered complex intermetallic compound analyzed by TOPOS.

The compound Au10Mo4Zn89 has been synthesized, and its structure has been analyzed by single-crystal X-ray diffraction. The compound crystallizes in cubic space group F43m (No. 216) with a unit cell that contains 412 atoms.