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DOE OSTI · 1189305

Materials Data on KAu5 by Materials Project

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Abstract

KAu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to eighteen Au+0.20- atoms. There are six shorter (3.35 Å) and twelve longer (3.70 Å) K–Au bond lengths. There are two inequivalent Au+0.20- sites. In the first Au+0.20- site, Au+0.20- is bonded in a 3-coordinate geometry to three equivalent K1+ and six equivalent Au+0.20- atoms. All Au–Au bond lengths are 2.84 Å. In the second Au+0.20- site, Au+0.20- is bonded to four equivalent K1+ and eight Au+0.20- atoms to form a mixture of face, edge, and corner-sharing AuK4Au8 cuboctahedra. All Au–Au bond lengths are 2.90 Å.

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36 MATERIALS SCIENCEAu-Kcrystal structureKAu5

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2020-07-15. Materials Data on KAu5 by Materials Project. https://doi.org/10.17188/1189305

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