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Philosophical Magazine Volume 90, 2010 - Issue 30
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Original Articles

Packing efficiency of coordination polyhedra

Lingjie Luo Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China
,
Jiang Wu Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China
,
Qing Wang Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China
,
Yingmin Wang Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China
,
Guang Han Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China
&
Chuang Dong Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, ChinaCorrespondence[email protected]
Pages 3961-3973 | Received 20 Jan 2010, Accepted 13 Jun 2010, Published online: 27 Jul 2010
 
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Abstract

Close-packing of hard spheres is a general structural stability criterion for alloy phases. This paper aims at explaining the close-packing geometries of coordination polyhedral clusters composed of non-equivalent spheres. The shell atoms are separately treated according to their site symmetries. Ideal close-packing curves as functions of atomic radius ratios between the central atom and the shell atoms have to be introduced to evaluate the packing efficiencies of the clusters with coordination numbers CN = 9–11, where the shell atoms are located at least at two non-equivalent sites. Close-packing features of clusters involved in amorphous alloys are confirmed.

Acknowledgements

This project was supported by the National Science Foundation of China (Nos. 50631010 and 50901012) and the National Basic Research Program of China (No. 2007CB613902).

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