Materials Data on YbCu5 by Materials Project

Abstract

YbCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.87 Å) and twelve longer (3.22 Å) Yb–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Yb and nine Cu atoms. There are six shorter (2.50 Å) and three longer (2.87 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded to four equivalent Yb and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuYb4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.48 Å.