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DOE OSTI · 1313105

Materials Data on TlPt2S3 by Materials Project

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Abstract

Pt2TlS3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pt2TlS3 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 S2- atoms. All Pt–S bond lengths are 2.42 Å. In the second Pt+1.50+ site, Pt+1.50+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pt–S bond lengths are 2.36 Å. Tl3+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. All Tl–S bond lengths are 3.42 Å. S2- is bonded in a 3-coordinate geometry to three Pt+1.50+ and one Tl3+ atom.

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36 MATERIALS SCIENCEcrystal structurePt-S-TlTlPt2S3

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2020-07-14. Materials Data on TlPt2S3 by Materials Project. https://doi.org/10.17188/1313105

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