4.1 Article

Ab initio determination of atomic structure of Zn-Zr precipitates in a Mg-Nd-Zn-Zr alloy

出版社

INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2052520619010229

关键词

crystal structure; Zn-Zr precipitate; electron diffraction; scanning-transmission electron microscopy; electron crystallography

资金

  1. National Nature Science Foundation of China [51771202, 51371178, 51390473]
  2. Key Research Program of Frontier Science, CAS [QYZDY-SSW-JSC207]

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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 Zn2Zr3 with a primitive tetragonal structure (space group P4(2)/mnm, a = b = 0.761 nm, c = 0.682 nm). There are 20 atoms in the unit cell of tetragonal Zn2Zr3, comprising 12 Zr atoms at the 4d, 4f, 4g positions and eight Zn atoms at the 8j positions.

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