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DOE OSTI2020

Materials Data on YbCdCu4 by Materials Project

YbCdCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent Cd atoms. All Yb–Cu bond lengths are 2.97 Å. All Yb–Cd bond lengths are 3.10 Å. Cu is bonded to three equivalent Yb, six equivalent Cu, and three equivalent Cd atoms to form a mixture of face, edge, and corner-sharing CuYb3Cd3Cu6 cuboctahedra. There are three shorter (2.52 Å) and three longer (2.54 Å) Cu–Cu bond lengths. All Cu–Cd bond lengths are 2.97 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Yb and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Yb5CdCu2 by Materials Project

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.

36 MATERIALS SCIENCE↗