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DOE OSTI · 1726976

Materials Data on LiAuF6 by Materials Project

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Abstract

LiAuF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent AuF6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Li–F bond lengths are 2.06 Å. Au5+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Au–F bond lengths are 1.95 Å. F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Au5+ atom.

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36 MATERIALS SCIENCEAu-F-Licrystal structureLiAuF6

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2020-05-09. Materials Data on LiAuF6 by Materials Project. https://doi.org/10.17188/1726976

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