Materials Data on Sr2H4Pd by Materials Project

Abstract

Sr2PdH4 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 5-coordinate geometry to five H atoms. There are a spread of Sr–H bond distances ranging from 2.74–2.78 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine H atoms. There are a spread of Sr–H bond distances ranging from 2.54–2.84 Å. Pd is bonded in a tetrahedral geometry to four H atoms. There are a spread of Pd–H bond distances ranging from 1.76–1.81 Å. There are three inequivalent H sites. In the first H site, H is bonded to four Sr and one Pd atom to form a mixture of edge and corner-sharing HSr4Pd square pyramids. In the second H site, H is bonded to four Sr and one Pd atom to form a mixture of edge and corner-sharing HSr4Pd trigonal bipyramids. In the third H site, H is bonded in a 4-coordinate geometry to three Sr and one Pd atom.