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DOE OSTI · 1284259

Materials Data on Ag4SI by Materials Project

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Abstract

Ag4SI crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 7-coordinate geometry to three Ag, one S, and three equivalent I atoms. There are one shorter (2.87 Å) and two longer (2.99 Å) Ag–Ag bond lengths. The Ag–S bond length is 2.70 Å. There are one shorter (3.03 Å) and two longer (3.24 Å) Ag–I bond lengths. In the second Ag site, Ag is bonded in a linear geometry to two equivalent Ag and two equivalent S atoms. Both Ag–S bond lengths are 2.48 Å. S is bonded in a 6-coordinate geometry to six Ag atoms. I is bonded in a 6-coordinate geometry to six equivalent Ag atoms.

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36 MATERIALS SCIENCEAg-I-SAg4SIcrystal structure

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2020-07-23. Materials Data on Ag4SI by Materials Project. https://doi.org/10.17188/1284259

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