Acta Crystallographica Section B

Structural Science

Volume 62, Part 6 (December 2006)

research papers

Acta Cryst. (2006). B62, 966-971 [ doi:10.1107/S0108768106036457 ]

Electron-diffraction structure refinement of Ni₄Ti₃ precipitates in Ni₅₂Ti₄₈

W. Tirry, D. Schryvers, K. Jorissen and D. Lamoen

Abstract: The atomic coordinates of the crystal structure of nanoscale Ni₄Ti₃ precipitates in Ni-rich NiTi is refined by means of a least-squares method based on intensity measures of electron-diffraction patterns. The optimization is performed in combination with density functional theory calculations and has yielded an $R\bar 3$ symmetry with slightly different atomic positions when compared with the existing structure. The new unit cell offers a better understanding of the lattice deformation from the B2 matrix.

Keywords: Ni₄Ti₃ precipitation; shape memory alloys; electron diffraction; density functional calculations; multi-slice least-squares method.


	Text file (2.2 kbytes) [ doi:10.1107/S0108768106036457/lc5049sup2.txt ] Supplementary material

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Search: From to Advanced search