A fascinating building unit: Mackay cluster in intermetallics

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• 作者：T. G. Akhmetshina ; V. A. Blatov
• 关键词：Intermetallics ; Nanocluster model ; Mackay cluster ; ToposPro program package ; Topological analysis
• 刊名：Structural Chemistry
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：28
• 期：1
• 页码：133-140
• 全文大小：
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Computer Applications in Chemistry; Physical Chemistry; Theoretical and Computational Chemistry;
• 出版者：Springer US
• ISSN：1572-9001
• 卷排序：28

文摘

We have performed topological analysis of the intermetallics containing two-shell nanoclusters. The crystal structures that include Mackay clusters are considered in more detail. Using the TTN collection of the ToposPro program package 22 topological types of intermetallics, in which Mackay cluster plays the role of primary nanocluster or local configuration, are found. The statistical data on the chemical composition of the nanoclusters are presented; the ways of local binding of the nanoclusters and the topology of the corresponding underlying nets are determined and classified.