Materials Data on YbAsPd by Materials Project

Abstract

YbPdAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to six equivalent Pd and five As atoms. There are two shorter (3.15 Å) and four longer (3.30 Å) Yb–Pd bond lengths. There are one shorter (2.92 Å) and four longer (2.96 Å) Yb–As bond lengths. Pd is bonded to six equivalent Yb, two equivalent Pd, and four As atoms to form a mixture of distorted edge, face, and corner-sharing PdYb6As4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 2.90 Å. All Pd–As bond lengths are 2.69 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Pd atoms. In the second As site, As is bonded in a 3-coordinate geometry to three equivalent Yb and six equivalent Pd atoms.