Materials Data on Sm3(SiPd)2 by Materials Project

Abstract

Sm3Pd2Si2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to four equivalent Pd and five Si atoms. There are two shorter (3.07 Å) and two longer (3.13 Å) Sm–Pd bond lengths. There are a spread of Sm–Si bond distances ranging from 3.07–3.29 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to four equivalent Pd and four Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.00–3.19 Å. There are a spread of Sm–Si bond distances ranging from 3.02–3.40 Å. Pd is bonded in a 10-coordinate geometry to six Sm, one Pd, and three Si atoms. The Pd–Pd bond length is 2.84 Å. There are one shorter (2.52 Å) and two longer (2.65 Å) Pd–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Sm and two equivalent Pd atoms. In the second Si site, Si is bonded in a 12-coordinate geometry to six Sm and four equivalent Pd atoms.