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DOE OSTI · 1725444

Materials Data on YbAsPt by Materials Project

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Abstract

YbPtAs 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 Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of face and edge-sharing YbAs6Pt6 cuboctahedra. All Yb–Pt bond lengths are 3.13 Å. All Yb–As bond lengths are 3.20 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of face and edge-sharing YbAs6Pt6 cuboctahedra. All Yb–Pt bond lengths are 3.19 Å. All Yb–As bond lengths are 3.12 Å. Pt2- is bonded in a 9-coordinate geometry to six Yb3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.49 Å. As1- is bonded in a 9-coordinate geometry to six Yb3+ and three equivalent Pt2- atoms.

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36 MATERIALS SCIENCEAs-Pt-Ybcrystal structureYbAsPt

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2020-05-03. Materials Data on YbAsPt by Materials Project. https://doi.org/10.17188/1725444

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