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  • Title: Electron-diffraction structure refinement of Ni4Ti3 precipitates in Ni52Ti48.
    Author: Tirry W, Schryvers D, Jorissen K, Lamoen D.
    Journal: Acta Crystallogr B; 2006 Dec; 62(Pt 6):966-71. PubMed ID: 17108648.
    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.
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