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DOE OSTI · 1284253

Materials Data on Gd5AgSe8 by Materials Project

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Abstract

Gd5AgSe8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.90–3.22 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.91 Å) and four longer (3.15 Å) Gd–Se bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.89 Å) and four longer (3.28 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to five Gd3+ and one Ag1+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Gd3+ and one Ag1+ atom.

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36 MATERIALS SCIENCEAg-Gd-Secrystal structureGd5AgSe8

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2020-06-04. Materials Data on Gd5AgSe8 by Materials Project. https://doi.org/10.17188/1284253

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