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DOE OSTI · 1191325

Materials Data on YAsPt by Materials Project

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Abstract

YPtAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing YAs6Pt6 cuboctahedra. All Y–Pt bond lengths are 3.24 Å. All Y–As bond lengths are 3.06 Å. In the second Y3+ site, Y3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing YAs6Pt6 cuboctahedra. All Y–Pt bond lengths are 3.05 Å. All Y–As bond lengths are 3.22 Å. Pt2- is bonded in a 9-coordinate geometry to six Y3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.50 Å. As1- is bonded in a 9-coordinate geometry to six Y3+ and three equivalent Pt2- atoms.

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36 MATERIALS SCIENCEAs-Pt-Ycrystal structureYAsPt

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2020-07-16. Materials Data on YAsPt by Materials Project. https://doi.org/10.17188/1191325

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