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DOE OSTI · 1206970

Materials Data on Pr5AgSe8 by Materials Project

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Abstract

Pr5AgSe8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.98–3.31 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.99 Å) and four longer (3.21 Å) Pr–Se bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.95 Å) and four longer (3.36 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 Pr3+ and one Ag1+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Pr3+ and one Ag1+ atom.

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36 MATERIALS SCIENCEAg-Pr-Secrystal structurePr5AgSe8

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2020-07-15. Materials Data on Pr5AgSe8 by Materials Project. https://doi.org/10.17188/1206970

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