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Ab initio determination of atomic structure of Zn–Zr precipitates in a Mg–Nd–Zn–Zr alloy
Author(s) -
Wang W. Z.,
Zhou X. Z.,
Yang Z. Q.,
Qi Y.,
Ye H. Q.
Publication year - 2019
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520619010229
Subject(s) - tetragonal crystal system , crystallography , materials science , alloy , stoichiometry , ab initio , electron diffraction , crystal structure , diffraction , chemistry , metallurgy , physics , organic chemistry , optics
The atomic structure of nanometre‐sized Zn–Zr precipitates in a Mg alloy is determined by combining tilt series of micro‐beam electron diffraction with atomic resolution Z ‐contrast imaging. The stoichiometry of the Zn–Zr precipitates is Zn 2 Zr 3 with a primitive tetragonal structure (space group P 4 2 / mnm , a = b = 0.761 nm, c = 0.682 nm). There are 20 atoms in the unit cell of tetragonal Zn 2 Zr 3 , comprising 12 Zr atoms at the 4 d , 4 f , 4 g positions and eight Zn atoms at the 8 j positions.
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