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DOE OSTI · 1687256

Materials Data on HoAsPt by Materials Project

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Abstract

HoPtAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing HoAs6Pt6 cuboctahedra. All Ho–Pt bond lengths are 3.24 Å. All Ho–As bond lengths are 3.06 Å. In the second Ho3+ site, Ho3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing HoAs6Pt6 cuboctahedra. All Ho–Pt bond lengths are 3.04 Å. All Ho–As bond lengths are 3.23 Å. Pt2- is bonded in a 9-coordinate geometry to six Ho3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.49 Å. As1- is bonded in a 9-coordinate geometry to six Ho3+ and three equivalent Pt2- atoms.

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36 MATERIALS SCIENCEAs-Ho-Ptcrystal structureHoAsPt

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2020-05-03. Materials Data on HoAsPt by Materials Project. https://doi.org/10.17188/1687256

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