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DOE OSTI · 1727928

Materials Data on GeAu3 by Materials Project

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Abstract

Au3Ge crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to twelve Au1- atoms to form a mixture of face, edge, and corner-sharing AuAu12 cuboctahedra. There are six shorter (2.96 Å) and six longer (2.98 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded to nine Au1- and three equivalent Ge3+ atoms to form distorted AuGe3Au9 cuboctahedra that share corners with eighteen equivalent AuGe3Au9 cuboctahedra, edges with twelve AuAu12 cuboctahedra, and faces with fourteen AuAu12 cuboctahedra. All Au–Au bond lengths are 2.96 Å. All Au–Ge bond lengths are 2.95 Å. Ge3+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms.

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2020-05-03. Materials Data on GeAu3 by Materials Project. https://doi.org/10.17188/1727928

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