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Crystal structure of Ti5Al2C3 was determined by means of X-ray powder diffraction (XRPD), transmission electron microscopy (TEM) and ab initio calculations. In contrast to the already known P63/mmc space group that the MAX phases crystallize, it was demonstrated that the R 3¯m space group could better satisfy the experimental data. The lattice parameters are a = 0.305 64 nm, c = 4.818 46 nm in a hexagonal unit cell.


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Crystal structure determination of nanolaminated Ti5Al2C3 by combined techniques of XRPD, TEM and ab initio calculations

Show Author's information Hui ZHANGa,bXiaohui WANGaYonghui MAaLuchao SUNa,bLiya ZHENGa,bYanchun ZHOUc,*( )
Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016, China
Graduate School of Chinese Academy of Sciences, Beijing 100039, China
Science and Technology on Advanced Functional Composite Laboratory, Aerospace Research Institute of Materials & Processing Technology, No.1 South Dahongmen Road, Beijing 100076, China

Abstract

Crystal structure of Ti5Al2C3 was determined by means of X-ray powder diffraction (XRPD), transmission electron microscopy (TEM) and ab initio calculations. In contrast to the already known P63/mmc space group that the MAX phases crystallize, it was demonstrated that the R 3¯m space group could better satisfy the experimental data. The lattice parameters are a = 0.305 64 nm, c = 4.818 46 nm in a hexagonal unit cell.

Keywords:

Ti5Al2C3, crystal structure, layered carbides, transmission electron microscopy (TEM)
Received: 23 November 2012 Accepted: 27 November 2012 Published: 09 January 2013 Issue date: December 2012
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Publication history

Received: 23 November 2012
Accepted: 27 November 2012
Published: 09 January 2013
Issue date: December 2012

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© The author(s) 2012

Acknowledgements

This work was funded by the NSFC under Grant No. 50832008, Grant No. 91226202 and the IMR innovative research foundation.

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