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DOE OSTI · 1207565

Materials Data on Sm5AgSe8 by Materials Project

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Abstract

Sm5AgSe8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sm–Se bond distances ranging from 2.93–3.26 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.94 Å) and four longer (3.16 Å) Sm–Se bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.91 Å) and four longer (3.31 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 Sm3+ and one Ag1+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Sm3+ and one Ag1+ atom.

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36 MATERIALS SCIENCEAg-Se-Smcrystal structureSm5AgSe8

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2020-04-30. Materials Data on Sm5AgSe8 by Materials Project. https://doi.org/10.17188/1207565

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