Materials Data on Rb2H4Pd by Materials Project

Abstract

Rb2PdH4 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are four shorter (3.01 Å) and four longer (3.03 Å) Rb–H bond lengths. Pd2+ is bonded in a square co-planar geometry to four H1- atoms. There is two shorter (1.66 Å) and two longer (1.67 Å) Pd–H bond length. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Rb1+ and one Pd2+ atom to form a mixture of face, edge, and corner-sharing HRb4Pd square pyramids. In the second H1- site, H1- is bonded to four equivalent Rb1+ and one Pd2+ atom to form a mixture of face, edge, and corner-sharing HRb4Pd square pyramids.