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DOE OSTI · 1698538

Materials Data on HgPt2Se3 by Materials Project

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Abstract

Pt2HgSe3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pt2HgSe3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent Se2- atoms. All Pt–Se bond lengths are 2.57 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pt–Se bond lengths are 2.49 Å. Hg2+ is bonded in a 6-coordinate geometry to three equivalent Se2- atoms. All Hg–Se bond lengths are 3.16 Å. Se2- is bonded in a 4-coordinate geometry to three Pt2+ and one Hg2+ atom.

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36 MATERIALS SCIENCEcrystal structureHg-Pt-SeHgPt2Se3

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2020-05-03. Materials Data on HgPt2Se3 by Materials Project. https://doi.org/10.17188/1698538

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