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DOE OSTI · 1274941

Materials Data on BaAg2SnSe4 by Materials Project

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Abstract

BaAg2SnSe4 crystallizes in the orthorhombic I222 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.48 Å) and four longer (3.50 Å) Ba–Se bond lengths. Ag1+ is bonded in a distorted see-saw-like geometry to four equivalent Se2- atoms. There are two shorter (2.59 Å) and two longer (2.99 Å) Ag–Se bond lengths. Sn4+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Sn–Se bond lengths are 2.58 Å. Se2- is bonded to two equivalent Ba2+, two equivalent Ag1+, and one Sn4+ atom to form a mixture of distorted corner and edge-sharing SeBa2Ag2Sn trigonal bipyramids.

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36 MATERIALS SCIENCEAg-Ba-Se-SnBaAg2SnSe4crystal structure

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2020-07-16. Materials Data on BaAg2SnSe4 by Materials Project. https://doi.org/10.17188/1274941

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