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DOE OSTI · 1740204

Materials Data on Ag(Mo3Se4)2 by Materials Project

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Abstract

AgMo6Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.50+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.67 Å. Ag1+ is bonded in a distorted body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.53 Å) and six longer (3.32 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Mo+2.50+ and one Ag1+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.50+ and one Ag1+ atom.

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36 MATERIALS SCIENCEAg(Mo3Se4)2Ag-Mo-Secrystal structure

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2020-05-02. Materials Data on Ag(Mo3Se4)2 by Materials Project. https://doi.org/10.17188/1740204

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