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DOE OSTI · 1688367

Materials Data on YbNiAs by Materials Project

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Abstract

YbNiAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded to six equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing YbAs6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 44°. All Yb–As bond lengths are 3.07 Å. In the second Yb2+ site, Yb2+ is bonded to six equivalent As3- atoms to form a mixture of corner, edge, and face-sharing YbAs6 octahedra. All Yb–As bond lengths are 3.08 Å. Ni1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Ni–As bond lengths are 2.31 Å. As3- is bonded in a 3-coordinate geometry to six Yb2+ and three equivalent Ni1+ atoms.

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36 MATERIALS SCIENCEAs-Ni-Ybcrystal structureYbNiAs

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2020-05-02. Materials Data on YbNiAs by Materials Project. https://doi.org/10.17188/1688367

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