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DOE OSTI · 1723610

Materials Data on YbGa3Au by Materials Project

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Abstract

YbAuGa3 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two YbAuGa3 sheets oriented in the (0, 0, 1) direction. Yb is bonded in a 8-coordinate geometry to four equivalent Au and four equivalent Ga atoms. All Yb–Au bond lengths are 3.16 Å. All Yb–Ga bond lengths are 3.17 Å. Au is bonded in a 9-coordinate geometry to four equivalent Yb and five Ga atoms. There are one shorter (2.53 Å) and four longer (2.70 Å) Au–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted water-like geometry to two equivalent Au atoms. In the second Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent Yb and one Au atom.

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36 MATERIALS SCIENCEAu-Ga-Ybcrystal structureYbGa3Au

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2019-01-12. Materials Data on YbGa3Au by Materials Project. https://doi.org/10.17188/1723610

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