Materials Data on Sr2Al5Pd4 by Materials Project

Abstract

Sr2Pd4Al5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 4-coordinate geometry to six Pd and eight Al atoms. There are a spread of Sr–Pd bond distances ranging from 3.14–3.49 Å. There are a spread of Sr–Al bond distances ranging from 3.45–3.65 Å. In the second Sr site, Sr is bonded in a 1-coordinate geometry to seven Pd atoms. There are a spread of Sr–Pd bond distances ranging from 3.01–3.43 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three Sr and six Al atoms. There are a spread of Pd–Al bond distances ranging from 2.48–2.69 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three Sr and six Al atoms. There are a spread of Pd–Al bond distances ranging from 2.57–2.71 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to four Sr, two equivalent Pd, and four Al atoms. Both Pd–Pd bond lengths are 2.82 Å. There are a spread of Pd–Al bond distances ranging from 2.47–2.88 Å. In the fourth Pd site, Pd is bonded in a 7-coordinate geometry to three equivalent Sr and six Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.66 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Sr and five Pd atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to four Pd atoms. In the third Al site, Al is bonded in a 4-coordinate geometry to three equivalent Sr and four Pd atoms. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Sr and five Pd atoms. In the fifth Al site, Al is bonded in a 4-coordinate geometry to two equivalent Sr and four Pd atoms.