Materials Data on YbNiAs by Materials Project
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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