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DOE OSTI · 1309576

Materials Data on SmAg3 by Materials Project

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Abstract

SmAg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a distorted body-centered cubic geometry to fourteen Ag atoms. There are eight shorter (3.05 Å) and six longer (3.52 Å) Sm–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Sm and four equivalent Ag atoms to form a mixture of distorted corner, edge, and face-sharing AgSm4Ag4 tetrahedra. All Ag–Ag bond lengths are 3.05 Å. In the second Ag site, Ag is bonded in a 8-coordinate geometry to six equivalent Sm and eight equivalent Ag atoms.

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36 MATERIALS SCIENCEAg-Smcrystal structureSmAg3

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2020-07-18. Materials Data on SmAg3 by Materials Project. https://doi.org/10.17188/1309576

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