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DOE OSTI · 1204260

Materials Data on Cs2PdI6 by Materials Project

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Abstract

Cs2PdI6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent I1- atoms. All Cs–I bond lengths are 4.06 Å. Pd4+ is bonded in an octahedral geometry to six I1- atoms. There are four shorter (2.66 Å) and two longer (3.23 Å) Pd–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pd4+ atom. In the second I1- site, I1- is bonded in a distorted linear geometry to one Pd4+ and one I1- atom. The I–I bond length is 2.88 Å.

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36 MATERIALS SCIENCEcrystal structureCs-I-PdCs2PdI6

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2020-07-15. Materials Data on Cs2PdI6 by Materials Project. https://doi.org/10.17188/1204260

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