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DOE OSTI · 1205559

Materials Data on Cs2PdSe8 by Materials Project

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Abstract

Cs2PdSe8 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se+0.50- atoms. There are a spread of Cs–Se bond distances ranging from 3.72–4.02 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent Se+0.50- atoms. All Pd–Se bond lengths are 2.47 Å. There are two inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Pd2+, and one Se+0.50- atom. The Se–Se bond length is 2.37 Å. In the second Se+0.50- site, Se+0.50- is bonded in a 2-coordinate geometry to one Cs1+ and two Se+0.50- atoms. The Se–Se bond length is 2.42 Å.

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36 MATERIALS SCIENCEcrystal structureCs-Pd-SeCs2PdSe8

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2020-05-01. Materials Data on Cs2PdSe8 by Materials Project. https://doi.org/10.17188/1205559

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