Materials Data on SbAsPd5 by Materials Project

Abstract

Pd5SbAs crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to four equivalent Pd, two equivalent Sb, and two equivalent As atoms. All Pd–Pd bond lengths are 2.90 Å. Both Pd–Sb bond lengths are 2.97 Å. Both Pd–As bond lengths are 2.46 Å. In the second Pd site, Pd is bonded in a 3-coordinate geometry to six equivalent Pd and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.73 Å. Sb is bonded to twelve Pd atoms to form SbPd12 cuboctahedra that share edges with six equivalent AsPd6 octahedra and faces with six equivalent SbPd12 cuboctahedra. As is bonded to six equivalent Pd atoms to form AsPd6 octahedra that share corners with six equivalent AsPd6 octahedra and edges with six equivalent SbPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 54°.