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DOE OSTI · 1680600

Materials Data on ErSiAg by Materials Project

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Abstract

ErAgSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er3+ is bonded to five Si4- atoms to form a mixture of distorted corner and edge-sharing ErSi5 square pyramids. There are one shorter (2.95 Å) and four longer (2.96 Å) Er–Si bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are two shorter (2.68 Å) and two longer (2.72 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 Er3+ and three equivalent Ag1+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Er3+ and six equivalent Ag1+ atoms.

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36 MATERIALS SCIENCEAg-Er-Sicrystal structureErSiAg

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2020-05-03. Materials Data on ErSiAg by Materials Project. https://doi.org/10.17188/1680600

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