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DOE OSTI · 1314915

Materials Data on LiAu3 by Materials Project

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Abstract

LiAu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to twelve Au+0.33- atoms to form a mixture of corner, edge, and face-sharing LiAu12 cuboctahedra. There are four shorter (2.84 Å) and eight longer (2.91 Å) Li–Au bond lengths. There are two inequivalent Au+0.33- sites. In the first Au+0.33- site, Au+0.33- is bonded to four equivalent Li1+ atoms to form a mixture of distorted corner and edge-sharing AuLi4 cuboctahedra. In the second Au+0.33- site, Au+0.33- is bonded in a square co-planar geometry to four equivalent Li1+ atoms.

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36 MATERIALS SCIENCEAu-Licrystal structureLiAu3

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2020-05-03. Materials Data on LiAu3 by Materials Project. https://doi.org/10.17188/1314915

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