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DOE OSTI · 1189556

Materials Data on ScAg(PSe3)2 by Materials Project

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Abstract

ScAg(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ScAg(PSe3)2 sheets oriented in the (0, 0, 1) direction. Sc3+ is bonded to six equivalent Se2- atoms to form ScSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Sc–Se bond lengths are 2.73 Å. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent ScSe6 octahedra. All Ag–Se bond lengths are 2.95 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.22 Å. Se2- is bonded in a 3-coordinate geometry to one Sc3+, one Ag1+, and one P4+ atom.

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36 MATERIALS SCIENCEAg-P-Sc-Secrystal structureScAg(PSe3)2

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2020-07-14. Materials Data on ScAg(PSe3)2 by Materials Project. https://doi.org/10.17188/1189556

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DOE OSTI2026

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36 MATERIALS SCIENCE↗