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DOE OSTI · 1285659

Materials Data on TlPd2Se3 by Materials Project

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Abstract

Pd2TlSe3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to six equivalent Se+1.67- atoms to form edge-sharing PdSe6 octahedra. All Pd–Se bond lengths are 2.55 Å. In the second Pd2+ site, Pd2+ is bonded to two equivalent Tl1+ and four equivalent Se+1.67- atoms to form edge-sharing PdTl2Se4 octahedra. Both Pd–Tl bond lengths are 3.06 Å. All Pd–Se bond lengths are 2.50 Å. Tl1+ is bonded in a 6-coordinate geometry to three equivalent Pd2+ and three equivalent Se+1.67- atoms. All Tl–Se bond lengths are 3.38 Å. Se+1.67- is bonded in a 4-coordinate geometry to three Pd2+ and one Tl1+ atom.

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36 MATERIALS SCIENCEcrystal structurePd-Se-TlTlPd2Se3

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2020-07-18. Materials Data on TlPd2Se3 by Materials Project. https://doi.org/10.17188/1285659

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