Materials Data on YbNi5 by Materials Project

Abstract

YbNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.78 Å) and twelve longer (3.11 Å) Yb–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Yb and nine Ni atoms. There are six shorter (2.41 Å) and three longer (2.78 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to four equivalent Yb and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiYb4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.41 Å.