Materials Data on SrBPd4 by Materials Project

Abstract

SrPd4B crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to fifteen Pd and two equivalent B atoms. There are a spread of Sr–Pd bond distances ranging from 3.05–3.62 Å. Both Sr–B bond lengths are 3.35 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to four equivalent Sr and one B atom. The Pd–B bond length is 2.18 Å. In the second Pd site, Pd is bonded in a 1-coordinate geometry to three equivalent Sr and one B atom. The Pd–B bond length is 2.09 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to four equivalent Sr and two equivalent B atoms. There are one shorter (2.16 Å) and one longer (2.21 Å) Pd–B bond lengths. B is bonded in a 6-coordinate geometry to two equivalent Sr and six Pd atoms.