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DOE OSTI · 1655288

Materials Data on TmAsPt by Materials Project

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Abstract

TmPtAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing TmAs6Pt6 cuboctahedra. All Tm–Pt bond lengths are 3.22 Å. All Tm–As bond lengths are 3.03 Å. In the second Tm3+ site, Tm3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of distorted edge and face-sharing TmAs6Pt6 cuboctahedra. All Tm–Pt bond lengths are 3.02 Å. All Tm–As bond lengths are 3.21 Å. Pt2- is bonded in a 9-coordinate geometry to six Tm3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.48 Å. As1- is bonded in a 9-coordinate geometry to six Tm3+ and three equivalent Pt2- atoms.

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36 MATERIALS SCIENCEAs-Pt-Tmcrystal structureTmAsPt

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2020-07-16. Materials Data on TmAsPt by Materials Project. https://doi.org/10.17188/1655288

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