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DOE OSTI · 1265135

Materials Data on TlPt2Se3 by Materials Project

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Abstract

Pt2TlSe3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pt2TlSe3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Pt+1.50+ sites. In the first Pt+1.50+ site, Pt+1.50+ is bonded in an octahedral geometry to six equivalent Se2- atoms. All Pt–Se bond lengths are 2.55 Å. In the second Pt+1.50+ site, Pt+1.50+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pt–Se bond lengths are 2.50 Å. Tl3+ is bonded in a 3-coordinate geometry to three equivalent Se2- atoms. All Tl–Se bond lengths are 3.43 Å. Se2- is bonded in a 4-coordinate geometry to three Pt+1.50+ and one Tl3+ atom.

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36 MATERIALS SCIENCEcrystal structurePt-Se-TlTlPt2Se3

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2020-07-14. Materials Data on TlPt2Se3 by Materials Project. https://doi.org/10.17188/1265135

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