Materials Data on Yb5CdCu2 by Materials Project

Abstract

Yb5Cu2Cd crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Cu and two equivalent Cd atoms. All Yb–Cu bond lengths are 3.11 Å. Both Yb–Cd bond lengths are 3.60 Å. In the second Yb site, Yb is bonded to three equivalent Cu and two equivalent Cd atoms to form a mixture of distorted corner, edge, and face-sharing YbCd2Cu3 trigonal bipyramids. There are two shorter (2.99 Å) and one longer (3.08 Å) Yb–Cu bond lengths. Both Yb–Cd bond lengths are 3.32 Å. Cu is bonded in a 9-coordinate geometry to eight Yb and one Cu atom. The Cu–Cu bond length is 2.59 Å. Cd is bonded in a 10-coordinate geometry to ten Yb atoms.