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DOE OSTI · 1677911

Materials Data on ZnAu4 by Materials Project

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Abstract

Au4Zn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Au+0.50- and three equivalent Zn2+ atoms. All Au–Au bond lengths are 2.98 Å. All Au–Zn bond lengths are 2.72 Å. In the second Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of face, edge, and corner-sharing AuAu12 cuboctahedra. There are three shorter (2.95 Å) and six longer (2.98 Å) Au–Au bond lengths. Zn2+ is bonded in a distorted hexagonal planar geometry to six equivalent Au+0.50- atoms.

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36 MATERIALS SCIENCEAu-Zncrystal structureZnAu4

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2020-05-03. Materials Data on ZnAu4 by Materials Project. https://doi.org/10.17188/1677911

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