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DOE OSTI · 1312924

Materials Data on LuSiAu by Materials Project

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Abstract

LuAuSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. All Lu–Au bond lengths are 2.95 Å. All Lu–Si bond lengths are 3.24 Å. In the second Lu3+ site, Lu3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. All Lu–Au bond lengths are 3.21 Å. All Lu–Si bond lengths are 2.92 Å. Au1+ is bonded in a 6-coordinate geometry to six Lu3+ and three equivalent Si4- atoms. All Au–Si bond lengths are 2.55 Å. Si4- is bonded in a 3-coordinate geometry to six Lu3+ and three equivalent Au1+ atoms.

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36 MATERIALS SCIENCEAu-Lu-Sicrystal structureLuSiAu

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2020-07-16. Materials Data on LuSiAu by Materials Project. https://doi.org/10.17188/1312924

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