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DOE OSTI · 1206658

Materials Data on La5AgSe8 by Materials Project

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Abstract

La5AgSe8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.01–3.36 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.02 Å) and four longer (3.23 Å) La–Se bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.98 Å) and four longer (3.38 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to five La3+ and one Ag1+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five La3+ and one Ag1+ atom.

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36 MATERIALS SCIENCEAg-La-Secrystal structureLa5AgSe8

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2020-07-15. Materials Data on La5AgSe8 by Materials Project. https://doi.org/10.17188/1206658

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