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DOE OSTI · 1276485

Materials Data on TePdI2 by Materials Project

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Abstract

PdTeI2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one PdTeI2 sheet oriented in the (0, 0, 1) direction. Pd4+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form distorted edge-sharing PdTe3I3 octahedra. There are a spread of Pd–Te bond distances ranging from 2.62–3.12 Å. There are a spread of Pd–I bond distances ranging from 2.73–3.48 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Pd4+ and one I1- atom. The Te–I bond length is 2.82 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to three equivalent Pd4+ atoms. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Te2- atom.

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36 MATERIALS SCIENCEcrystal structureI-Pd-TeTePdI2

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2020-07-17. Materials Data on TePdI2 by Materials Project. https://doi.org/10.17188/1276485

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