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DOE OSTI · 1663112

Materials Data on LuSiAg by Materials Project

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Abstract

LuAgSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu3+ is bonded to five Si4- atoms to form a mixture of distorted edge and corner-sharing LuSi5 square pyramids. All Lu–Si bond lengths are 2.93 Å. Ag1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are two shorter (2.66 Å) and two longer (2.70 Å) Ag–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Lu3+ and three equivalent Ag1+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Lu3+ and six equivalent Ag1+ atoms.

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36 MATERIALS SCIENCEAg-Lu-Sicrystal structureLuSiAg

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2020-07-14. Materials Data on LuSiAg by Materials Project. https://doi.org/10.17188/1663112

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